SCHEMBL7471108

SCHEMBL7471108

N#CC(=Cc1c[nH]c2ccc(N)cc12)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL7471104 1.00 POLB (0.49) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7456830 0.87 EGFR (0.60) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7456833 0.87 EGFR (0.60) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7466924 0.85 ALDH1A1 (0.51) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7466929 0.85 ALDH1A1 (0.51) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7467101 0.83 CYP1A2 (0.62) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7467095 0.83 CYP1A2 (0.62) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL1388802 0.82 POLB (0.70) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL1388803 0.82 POLB (0.70) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL29397736 0.82 POLB (0.70) POLBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP claimed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP claimed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO claimed
EP-0700388-B1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-09-18 EP disclosed
US-5652250-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1997-07-29 US disclosed
EP-0700388-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1996-03-13 EP disclosed
WO-1995026341-A1 SUBSTITUTED BETA-ARYL AND BETA-HETEROARYL-ALPHA-CYANOACRYLAMIDE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1995-10-05 WO disclosed