SCHEMBL7021134

SCHEMBL7021134

c1cc(-c2ccc3[nH]cnc3c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
CLK1 P49759 1/20 0.46
JAK2 O60674 1/20 0.45
MKNK1 Q9BUB5 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
QDPR P09417 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
IMPDH2 P12268 1/20 0.41
CYP17A1 P05093 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6008269 0.88 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL31143361 0.88 MAPT (0.50) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL14669464 0.87 KDM4E (0.48) QPCTQPCTLPDE3BPDE3ACLK1
SCHEMBL29776555 0.86 PDE3B (0.45) QPCTQPCTLPDE3BPDE3ACLK1
SCHEMBL7021141 0.85 QPCT (0.66) QPCTQPCTLPDE3BPDE3AMAPT
SCHEMBL38665709 0.85 QPCT (0.66) QPCTQPCTLPDE3BPDE3AMAPT
SCHEMBL2457365 0.83 QPCT (0.50) QPCTQPCTLCLK1JAK2MKNK1
SCHEMBL13373486 0.81 PARP1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL28178019 0.81 PSMD11 (0.49) QPCTQPCTLMAPTKDM4EALDH1A1
SCHEMBL25912038 0.81 PARP1 (0.46) QPCTQPCTLMAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP claimed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed