SCHEMBL15433735

SCHEMBL15433735

COc1ccc2c(S(C)(=O)=O)cc(-c3cnn(C)c3)nc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.43
PLAU P00749 1/20 0.41
FGFR3 P22607 6/20 0.40
FGFR1 P11362 5/20 0.40
FGFR2 P21802 4/20 0.40
MAPT P10636 2/20 0.39
ALPL P05186 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
FYN P06241 1/20 0.38
FGFR4 P22455 2/20 0.38
KDR P35968 2/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL15428934 0.86 NTRK1 (0.39) BRD4MAPTLOXL2NTRK1NTRK2
SCHEMBL298911 0.82 PLAU (0.44) PLAUFGFR3FGFR1FGFR2MAPT
SCHEMBL10046375 0.82 PLAU (0.42) BRD4PLAUFGFR3FGFR1FGFR2
SCHEMBL18900876 0.81 PLAU (0.40) PLAULOXL2
SCHEMBL15433747 0.80 CYP19A1 (0.36) ALPL
SCHEMBL10015189 0.73 BRD4 (0.39) BRD4FGFR3FGFR1FGFR2MAPT
SCHEMBL7900338 0.71 HTR6 (0.38) MAPT
SCHEMBL288425 0.70 SYK (0.35) KDR
SCHEMBL13929793 0.70 PLAU (0.45) BRD4PLAUFGFR3FGFR1FGFR2
SCHEMBL13929789 0.70 PLAU (0.45) BRD4PLAUFGFR3FGFR1FGFR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed