SCHEMBL18654723

SCHEMBL18654723

Cc1nc2ccc(-c3ccccc3Cl)nn2c1C(=O)NC1=CC=CNN1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CSNK1D P48730 4/20 0.35
▸ CSNK1E P49674 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL18654658 0.89 EPHB3 (0.35) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18654626 0.89 CSNK1D (0.37) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL18654323 0.86 NTRK1 (0.35) CSNK1DCSNK1ETP53
SCHEMBL18654428 0.86 EPHB3 (0.41) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18654863 0.84 RIPK1 (0.37) CSNK1DCSNK1E
SCHEMBL18654429 0.84 EPHB3 (0.39) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14896803 0.78 EPHB3 (0.41) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14896947 0.76 EPHB3 (0.40) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14897208 0.76 EPHB3 (0.40) EPHB3SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18655239 0.76 CSNK1D (0.38) EPHB3ALDH1A1MAPTCSNK1DCSNK1E

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
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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