SCHEMBL6209584

SCHEMBL6209584

Clc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCCc1ccccn1.Fc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.41
▸ STK17A Q9UEE5 12/20 0.39
▸ STK17B O94768 9/20 0.39
▸ SOS1 Q07889 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR2C P28335 1/20 0.37

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
SCHEMBL6214422 0.96 KDM4E (0.40) PTK2STK17ASOS1KDM4EALDH1A1
SCHEMBL6210266 0.96 PTK2 (0.43) PTK2STK17ASTK17BKDM4EALDH1A1
SCHEMBL6209610 0.89 PTK2 (0.52) PTK2KDM4EALDH1A1MAPTDRD2
SCHEMBL6212755 0.89 PTK2 (0.46) PTK2SOS1KDM4EALDH1A1MAPT
SCHEMBL6829733 0.87 PTK2 (0.43) PTK2STK17AKDM4EALDH1A1MAPT
SCHEMBL6214366 0.87 PTK2 (0.43) PTK2STK17ASTK17BKDM4EALDH1A1
SCHEMBL6209410 0.83 IGF1R (0.48) PTK2KDM4EALDH1A1MAPTDRD2
SCHEMBL6215668 0.82 GSK3B (0.38) KDM4EALDH1A1MAPTDRD2ALOX15
SCHEMBL6832992 0.82 GSK3B (0.38) KDM4EALDH1A1MAPTDRD2ALOX15
SCHEMBL6274350 0.80 PTK2 (0.52) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO disclosed
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