SCHEMBL6804444

SCHEMBL6804444

Oc1cccc(-n2cnc3cc(Br)cnc32)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.55
NT5E P21589 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
RPS6KA3 P51812 1/20 0.47
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAK O14976 1/20 0.39
OPRD1 P41143 5/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
SRC P12931 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
SCHEMBL13202017 0.83 KMT2A (0.52) FGFR1RPS6KA3HPGDMEN1KMT2A
SCHEMBL6801219 0.81 FGFR1 (0.57) FGFR1HPGDGAK
SCHEMBL22699767 0.80 FGFR1 (0.62) FGFR1NT5EESR1ESR2RPS6KA3
SCHEMBL6801677 0.78 GABRG2 (0.45) HPGDMEN1KMT2AGAK
SCHEMBL6799091 0.78 IDO1 (0.46) HPGDMEN1KMT2ASRC
SCHEMBL6804619 0.76 NT5E (0.69) FGFR1NT5EESR1ESR2RPS6KA3
SCHEMBL29623847 0.75 FGFR1 (0.43) FGFR1HPGDKMT2AGAK
SCHEMBL19350803 0.75 FGFR1 (0.43) FGFR1HPGDKMT2AGAK
SCHEMBL6802476 0.74 HPGD (0.44) HPGDMEN1KMT2A
SCHEMBL2409565 0.73 NT5E (0.60) FGFR1NT5EESR1ESR2RPS6KA3

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
US-6723735-B1 TREATMENT OR PREVENTION OF ANXIETY MERCK SHARP & DOHME LTD. 2004-04-20 US disclosed
EP-1214319-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-11-26 EP disclosed