SCHEMBL31707849

SCHEMBL31707849

NC(=O)c1c(-c2cc3cc[nH]c3cn2)sc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ATR Q13535 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PIK3CD O00329 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
SCHEMBL20476405 0.71 KDM5C (0.51) HDAC6GRM4PIM1CCNT1CCND1
SCHEMBL29018616 0.71 HDAC6 (0.39) HDAC6GRM4RIPK1PIK3CDMAOB
SCHEMBL1207795 0.66 HDAC6 (0.48) HDAC6CTNNB1WNT3ACCNT1CCND1
Hydrochloric Acid SCHEMBL3831639 0.65 HDAC6 (0.47) HDAC6CTNNB1WNT3ACCNT1CCND1
SCHEMBL31707851 0.65 HDAC6 (0.57) HDAC6MAOBSYK
SCHEMBL21813696 0.63 LIMK1 (0.56) LIMK1PARP1
SCHEMBL20476554 0.62 P4HA1 (0.57) HDAC6
SCHEMBL30830385 0.62 LIMK1 (0.55) LIMK1PARP1
SCHEMBL8523957 0.62 PI4K2A (0.51) CTNNB1WNT3APIM1RIPK1PARP1
SCHEMBL20476591 0.61 KDM5C (0.51) HDAC6PIM1CCNT1CCND1CCNC

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-4635953-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Iregene Therapeutics Co., Ltd (CN) 2025-10-22 — — EP disclosed
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