SCHEMBL13638373

SCHEMBL13638373

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3cnc4cc(NCCN(C)C)ccc4c3=O)nc2)s1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATM Q13315 18/20 0.37
WEE1 P30291 1/20 0.36
ORAI1 Q96D31 1/20 0.34

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
SCHEMBL12161374 0.93 P2RY12 (0.40) ATMWEE1
SCHEMBL13638705 0.90 ATM (0.43) ATM
SCHEMBL12177095 0.90 P2RY12 (0.34) ORAI1
SCHEMBL9923192 0.87 HRH3 (0.36)
SCHEMBL12177096 0.87 ATM (0.41) ATMWEE1
SCHEMBL13638605 0.87 KMT2A (0.38) ATM
SCHEMBL14113580 0.87 WEE1 (0.38) ATMWEE1
SCHEMBL9922536 0.85 P2RY12 (0.42) WEE1
SCHEMBL13182891 0.84 RAD52 (0.40)
SCHEMBL12161316 0.84 P2RY12 (0.46) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed