SCHEMBL14217528

SCHEMBL14217528

COc1cnc2c(ccn2S)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.38
MAPT P10636 2/20 0.37
EGFR P00533 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HTR2C P28335 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL8133385 0.81 APP (0.41) ROCK1MAPTEGFRNPC1RAB9A
SCHEMBL13538215 0.77 CCR1 (0.45) ROCK1CYP1A2NOS3NOS1NOS2
SCHEMBL24110617 0.76 HTR2C (0.40) ROCK1MAPTHTR2C
SCHEMBL4013641 0.74 MAPT (0.34) ROCK1MAPTEGFRNPC1RAB9A
SCHEMBL1150503 0.74 FGFR1 (0.44) ROCK1MAPTEGFRNPC1RAB9A
SCHEMBL23327801 0.74 SLC22A12 (0.41) MAPTCYP1A2ALDH1A1F2GLA
SCHEMBL29533363 0.74 HTR2C (0.35) ROCK1MAPTEGFRNPC1RAB9A
SCHEMBL25296103 0.74 HTR2C (0.62) HTR2C
SCHEMBL24110210 0.74 HTR2C (0.62) HTR2C
SCHEMBL24110214 0.74 MTNR1A (0.41) MAPTNPC1RAB9AHTR2C

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