SCHEMBL31375796

SCHEMBL31375796

CC(C)(C)c1cc(N)c2ccncc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 16/20 0.42
▸ LATS2 Q9NRM7 11/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38

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
SCHEMBL24174998 0.77 NCF1 (0.59) LATS1LATS2KDM4EPOLBHTT
SCHEMBL26424915 0.72 MCHR1 (0.44) KDM4EPOLBHTTLMNAACHE
SCHEMBL24506782 0.71 HSD17B10 (0.35) KDM4E
SCHEMBL29650635 0.71 LATS1 (0.56) LATS1LATS2ACHE
SCHEMBL13249607 0.69 MAP4K4 (0.39) LATS1LATS2POLBHTTIMPDH2
SCHEMBL4246335 0.69 ACHE (0.70) LATS1LATS2KDM4EPOLBHTT
SCHEMBL13666782 0.68 LATS1 (0.36) LATS1LATS2ROCK2PRKCHPRKCQ
SCHEMBL26795820 0.68 LATS1 (0.36) LATS1LATS2KDM4EHTTROCK2
SCHEMBL31375899 0.68 LATS1 (0.59) LATS1LATS2KDM4EPOLBHTT
SCHEMBL31375147 0.67 LATS1 (0.60) LATS1LATS2ACHE

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-114621222-B 6-6 Fused bicyclic heteroaryl compounds and their use as LATS inhibitors 诺华股份有限公司 2024-12-17 — — CN disclosed
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