SCHEMBL31049319

SCHEMBL31049319

c1ccc2c(c1)ncn2-c1ccn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ FGFR1 P11362 4/20 0.47
▸ ROCK1 Q13464 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL16036772 0.80 FGFR1 (0.55) HTTPOLBFGFR1MKNK1MKNK2
SCHEMBL7472749 0.74 HTT (0.55) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL2465676 0.72 MKNK2 (0.67) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL30402227 0.71 HTT (0.88) HTTPOLBFGFR1ALDH1A1
SCHEMBL3419279 0.71 HTT (0.88) HTTPOLBFGFR1ALDH1A1
SCHEMBL3417306 0.71 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL24988386 0.71 HTT (0.60) HTTPOLBFGFR1ROCK1MKNK1
Hydrochloric Acid SCHEMBL2491050 0.71 MKNK2 (0.65) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL1803928 0.70 HTT (0.55) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL9025863 0.70 PIK3CB (0.68) HTTPOLBFGFR1ROCK1MKNK1

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
CN-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
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