SCHEMBL8345668

SCHEMBL8345668

Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OCCN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.40
PRKD3 O94806 1/20 0.40
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
TGFBR2 P37173 2/20 0.39
BUB1 O43683 6/20 0.39
ACVRL1 P37023 3/20 0.38
ACVR1B P36896 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 1/20 0.37
KCNH2 Q12809 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL8347946 0.91 FLT1 (0.43) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344966 0.90 TGFBR1 (0.39) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344951 0.88 AGER (0.39) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8347168 0.88 TGFBR1 (0.47) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8348247 0.87 FLT1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8348227 0.87 FGFR1 (0.46) TGFBR1BUB1ACVR1B
SCHEMBL8344954 0.86 PTGER1 (0.42) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8344535 0.85 TGFBR1 (0.41) TGFBR1PRKD3PRKD1PRKD2TGFBR2
SCHEMBL8346012 0.85 TGFBR1 (0.56) TGFBR1PRKD3PRKD1PRKD2BUB1
SCHEMBL8344360 0.84 HPGD (0.41) TGFBR1TGFBR2BUB1ACVRL1ACVR1B

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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed