SCHEMBL30544661

SCHEMBL30544661

CN1CCCC(c2cc3cnn(C)c(=O)c3cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 14/20 0.44
▸ BPTF Q12830 1/20 0.44
▸ MAP4K4 O95819 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.36

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
SCHEMBL30544669 0.81 SLC6A2 (0.46) KAT2BBPTF
SCHEMBL30544664 0.80 MAP4K4 (0.41) MAP4K4NLRP3
SCHEMBL30544681 0.80 MAP4K4 (0.41) MAP4K4NLRP3
SCHEMBL30544699 0.80 MAP4K4 (0.41) MAP4K4NLRP3
SCHEMBL30544688 0.72 PARP1 (0.34) MAP4K4
SCHEMBL25152655 0.69 ABL1 (0.43) —
SCHEMBL25151852 0.69 ABL1 (0.43) —
SCHEMBL25151880 0.69 ABL1 (0.43) —
SCHEMBL30544690 0.69 HTR3A (0.52) —
SCHEMBL31427034 0.67 LRRK2 (0.35) KAT2BBPTF

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-116635371-A Polycyclic pyridazinone derivative serving as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-22 — — CN disclosed
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