SCHEMBL7020481

SCHEMBL7020481

CCSc1ncc(C)c(O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.39
RAB9A P51151 4/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
HASPIN Q8TF76 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL10999109 0.79 HASPIN (0.41) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL11122933 0.79 RAB9A (0.49) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL3966185 0.78 MEN1 (0.42) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL7020201 0.77 KMT2A (0.44) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL9152373 0.75 RAB9A (0.48) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL7017942 0.75 KMT2A (0.47) KMT2AMAPTPOLBALDH1A1MEN1
SCHEMBL843979 0.74 MAPT (0.43) KMT2AMAPTPOLBALDH1A1MEN1
SCHEMBL7024255 0.74 ALDH1A1 (0.55) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL5305507 0.74 RAB9A (0.43) KMT2AMAPTRAB9APOLBALDH1A1
SCHEMBL11186416 0.73 SMN1; SMN2 (0.47) KMT2AMAPTRAB9APOLBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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