SCHEMBL30853310

SCHEMBL30853310

CNc1nc(C)nc(Cl)c1CCl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDK2 Q15119 2/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.30
▸ PGK1 P00558 1/20 0.30

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
SCHEMBL27186160 1.00 LMNA (0.31) LMNAHTTSMN1; SMN2PDK2PDK4
SCHEMBL27186297 0.82 PDK2 (0.32) LMNAHTTSMN1; SMN2PDK2PDK4
SCHEMBL29844244 0.82 PDK2 (0.32) LMNAHTTSMN1; SMN2PDK2PDK4
SCHEMBL2179135 0.79 PDK2 (0.32) PDK2PGK1
SCHEMBL12303154 0.74 PDK2 (0.36) PDK2PDK4YTHDC1PGK1
SCHEMBL22119996 0.72 LMNA (0.39) LMNA
SCHEMBL23326569 0.71 LRRK2 (0.32) PDK2YTHDC1PGK1
SCHEMBL7298442 0.71 KMT2A (0.34) HTTPDK2YTHDC1PGK1
SCHEMBL24671925 0.71 YTHDC1 (0.32) PDK2YTHDC1PGK1
SCHEMBL29844264 0.69 PIK3CA (0.34) HTT

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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