SCHEMBL31368899

SCHEMBL31368899

COc1nc(C)c(N2CCNC(C)(C)C2)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 1/20 0.39
▸ PRKCQ Q04759 1/20 0.37
▸ AURKA O14965 6/20 0.35
▸ FLT3 P36888 6/20 0.35
▸ AURKB Q96GD4 6/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ FGFR2 P21802 2/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ GHSR Q92847 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ TTR P02766 2/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ CTNNB1 P35222 1/20 0.31
▸ TCF7L2 Q9NQB0 1/20 0.31

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
SCHEMBL30686366 0.87 LATS1 (0.40) LATS1PRKCQAURKAFLT3AURKB
SCHEMBL30686342 0.79 PRKCQ (0.47) PRKCQAURKAFLT3AURKBCSF1R
SCHEMBL31369004 0.71 LATS1 (0.38) LATS1PRKCQAURKAFLT3AURKB
SCHEMBL30686350 0.70 LATS1 (0.50) LATS1PRKCQTDP1HDAC1CSNK1E
SCHEMBL29643785 0.69 PRKCQ (0.41) LATS1PRKCQAURKAFLT3AURKB
SCHEMBL30686207 0.68 PRKCQ (0.42) LATS1PRKCQAURKAFLT3AURKB
SCHEMBL31368987 0.67 PRKCQ (0.41) LATS1PRKCQAURKAFLT3AURKB
Hydrochloric Acid SCHEMBL31368928 0.66 PRKD1 (0.39) LATS1PRKCQAURKAFLT3AURKB
SCHEMBL30686213 0.65 KMT2A (0.55) PRKCQTDP1HDAC1TTRPRKD1
SCHEMBL18096106 0.65 PRKCQ (0.42) LATS1PRKCQAURKAFLT3AURKB

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-119384420-A Novel PAR-2 inhibitors 多曼治疗学公司 2025-01-28 — — CN disclosed
Send feedback