SCHEMBL8178012

SCHEMBL8178012

CCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccc(C(=O)OC)cc3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.49
CTNNB1 P35222 2/20 0.46
TCF7L2 Q9NQB0 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
VCAM1 P19320 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8171492 0.91 ICAM1 (0.53) PRKCIKMT2AMEN1MAPTICAM1
SCHEMBL8179222 0.90 PRKCI (0.50) PRKCICTNNB1TCF7L2KMT2AMEN1
SCHEMBL8182005 0.88 FLT3 (0.49) CTNNB1TCF7L2KMT2AMEN1MAPT
SCHEMBL8185144 0.88 MEN1 (0.52) PRKCIKMT2AMEN1MAPTLMNA
SCHEMBL8177579 0.88 PRKCI (0.47) PRKCIKMT2AMAPTICAM1SELE
SCHEMBL8176754 0.88 CTNNB1 (0.45) CTNNB1TCF7L2KMT2AMEN1MAPT
SCHEMBL8179531 0.87 CTNNB1 (0.47) CTNNB1TCF7L2KMT2AMEN1MAPT
SCHEMBL8171018 0.86 HSD17B10 (0.49) PRKCIKMT2AMEN1MAPTLMNA
SCHEMBL8184299 0.86 PRKCI (0.45) PRKCIKMT2AMEN1
SCHEMBL8177976 0.84 CTNNB1 (0.44) CTNNB1TCF7L2KMT2AMEN1MAPT

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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed