SCHEMBL3917686

SCHEMBL3917686

COc1cc(Cl)cc(-c2n[nH]cc2-c2ccnc(SC)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40

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
SCHEMBL989130 0.88 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3912533 0.87 CCNA2 (0.44) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL14414198 0.82 LMNA (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3909205 0.81 CYP3A4 (0.39) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL13382569 0.80 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3911863 0.80 CCNA2 (0.47) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3912471 0.80 CCNT1 (0.39) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3255992 0.77 LMNA (0.47) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1554639 0.76 MAPK14 (0.54) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3921214 0.75 BRAF (0.46) MAPK14TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed