SCHEMBL14217529

SCHEMBL14217529

COc1cnc2c(c1)cc(C)n2S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
EGFR P00533 2/20 0.33
CRHR1 P34998 1/20 0.33
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL25942285 0.81 CYP11B1 (0.36) PDE10AEGFRCRHR1RAB9ANPC1
SCHEMBL14217528 0.72 ROCK1 (0.38) ACVR2ATGFBR2EGFRRAB9ANPC1
SCHEMBL1683406 0.69 HTR6 (0.46) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL9959514 0.69 TP53 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL1683455 0.69 KDM4E (0.44) ALDH1A1HPGDCYP3A4SMN1; SMN2KDM4E
SCHEMBL14819965 0.68 APP (0.39) ACVR2ATGFBR2EGFRRAB9ANPC1
SCHEMBL1683456 0.68 KEAP1 (0.39) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL8133385 0.67 APP (0.41) EGFRRAB9ANPC1ALDH1A1HPGD
SCHEMBL25941242 0.66 CHRNA7 (0.36) PDE10ARAB9ANPC1KDM4EMEN1
SCHEMBL15041953 0.64 ALDH1A1 (0.55) EGFRRAB9ANPC1ALDH1A1HPGD

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-7371765-B2 Quinoline derivatives having VEGF inhibiting activity ASTRAZENECA AB (SE) 2008-05-13 US disclosed