SCHEMBL6240815

SCHEMBL6240815

Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCCc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.45
▸ STK17A Q9UEE5 3/20 0.39
▸ STK17B O94768 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BCDIN3D Q7Z5W3 1/20 0.37
▸ MARK3 P27448 1/20 0.36

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
SCHEMBL6237567 0.88 KDM4E (0.41) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6242661 0.88 STK17A (0.45) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6237654 0.88 KDM4E (0.42) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6236421 0.88 HTR6 (0.40) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6244551 0.86 HTR6 (0.51) CHEK1HTR6CYP1A2CYP3A4MAPK1
SCHEMBL6234855 0.86 IGF1R (0.44) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6238407 0.86 TBK1 (0.43) CDK1STK17AHTR6MARK3MARK4
SCHEMBL6242731 0.86 MARK3 (0.40) CDK1STK17AHTR6CYP1A2CYP3A4
SCHEMBL6243731 0.86 IGF1R (0.44) CDK1STK17ASTK17BHTR6CYP1A2
SCHEMBL6212762 0.84 ALDH1A1 (0.49) STK17AHTR6CYP1A2CYP3A4MAPK1

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 4 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 claimed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO claimed
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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