SCHEMBL8182005

SCHEMBL8182005

COC(=O)c1ccc(-c2nc(NCc3ccc(F)cc3)c3cc(C)sc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.49
CTNNB1 P35222 6/20 0.47
TCF7L2 Q9NQB0 6/20 0.47
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
HPGD P15428 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
F2 P00734 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8185671 0.91 CYP1A2 (0.53) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8179531 0.89 CTNNB1 (0.47) CTNNB1TCF7L2MAPTLMNAMEN1
SCHEMBL8178012 0.88 PRKCI (0.49) CTNNB1TCF7L2MAPTLMNAMEN1
SCHEMBL8176754 0.87 CTNNB1 (0.45) CTNNB1TCF7L2MAPTLMNAMEN1
SCHEMBL8178957 0.87 MEN1 (0.53) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL8179480 0.87 CLK4 (0.41) FLT3CTNNB1TCF7L2MAPTLMNA
SCHEMBL8177976 0.86 CTNNB1 (0.44) CTNNB1TCF7L2MAPTLMNAMEN1
SCHEMBL8179358 0.85 MEN1 (0.44) MEN1KMT2A
SCHEMBL8185117 0.84 HSD17B10 (0.50) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL5129501 0.83 PRKCI (0.50) FLT3MAPTLMNAMEN1KMT2A

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