SCHEMBL9376298

SCHEMBL9376298

CCCCNc1nc(C)cc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM2 P50570 7/20 0.55
▸ MAPK1 P28482 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TLR8 Q9NR97 2/20 0.49
▸ NR4A2 P43354 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CDK9 P50750 1/20 0.42

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
SCHEMBL13330001 0.93 DNM2 (0.64) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL12963418 0.89 KMT2A (0.50) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL10811629 0.89 KMT2A (0.49) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL9589312 0.87 DNM2 (0.63) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL2574542 0.84 KMT2A (0.56) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL8349356 0.82 KMT2A (0.54) MAPK1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL16608857 0.81 ALDH1A1 (0.73) DNM2MAPK1ALDH1A1LMNAHTT
SCHEMBL22228311 0.81 KMT2A (0.73) MAPK1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12963423 0.77 KMT2A (0.50) DNM2MAPK1LMNAKMT2AMEN1
SCHEMBL1194281 0.76 DNM2 (0.78) DNM2MAPK1ALDH1A1LMNAHTT

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-0422178-B1 PYRIMIDINE DERIVATIVES ZENECA LTD (GB) 1994-10-05 — — EP disclosed
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 — — US disclosed
US-5223505-A PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 — — US disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 — — EP disclosed
WO-1990012790-A1 PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-01 — — WO disclosed
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