SCHEMBL12654401

SCHEMBL12654401

O=C(Nc1ccncc1)N1CCCc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 3/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ CSNK1E P49674 1/20 0.44
▸ FGFR4 P22455 4/20 0.43
▸ CYP3A4 P08684 4/20 0.42
▸ CYP11B2 P19099 1/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ GPR142 Q7Z601 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL12654193 0.90 HTR2C (0.50) CSNK1EFGFR4CYP11B2HTR2CHTR2A
SCHEMBL12654186 0.89 CYP11B2 (0.45) FGFR4CYP11B2HTR2C
SCHEMBL17655360 0.88 CREBBP (0.44) CREBBPFGFR4SMN1; SMN2GPR142CNR1
SCHEMBL12654400 0.88 P2RX1 (0.46) CREBBPFGFR4GPR142HTR2CHTR2A
SCHEMBL12654187 0.87 FGFR4 (0.42) CREBBPFGFR4CYP11B2ALDH1A1CNR1
SCHEMBL12654633 0.87 FGFR4 (0.48) FGFR4CYP11B2
SCHEMBL12959055 0.87 FGFR4 (0.42) CREBBPFGFR4CYP11B2HTR2CHTR2A
SCHEMBL12654188 0.86 CNR1 (0.43) FGFR4CYP11B2TRPV1CNR1
SCHEMBL1812175 0.85 CNR1 (0.43) CREBBPFGFR4SMN1; SMN2ALDH1A1GPR142
SCHEMBL12654530 0.85 CA2 (0.44) CREBBPFGFR4GPR142HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO disclosed
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