SCHEMBL20443595

SCHEMBL20443595

Cc1ccc2[nH]ncc2c1-c1cccc2c(NC3CCCN(CI)C3)cnnc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.41
▸ ROCK1 Q13464 8/20 0.39
▸ CCR2 P41597 6/20 0.39

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
SCHEMBL20443493 0.83 KRAS (0.46) —
SCHEMBL29447726 0.83 KRAS (0.46) —
SCHEMBL20443494 0.79 KRAS (0.49) —
SCHEMBL29447729 0.79 KRAS (0.49) —
SCHEMBL29447722 0.77 KRAS (0.51) —
SCHEMBL20443590 0.77 KRAS (0.51) —
SCHEMBL29447768 0.70 KRAS (0.47) —
SCHEMBL20443594 0.70 KRAS (0.47) —
SCHEMBL29447689 0.66 KRAS (0.50) —
SCHEMBL20443592 0.66 KRAS (0.50) —

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
WO-2018140512-A1 FUSED BICYCLIC BENZOHETEROAROMATIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 — — WO disclosed
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