SCHEMBL18626469

SCHEMBL18626469

COCCN1CCN(Cc2cc(F)cc(C(C)C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ KCNH2 Q12809 3/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ KDM2B Q8NHM5 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
SCHEMBL18626504 0.84 LMNA (0.46) MAP4K4
SCHEMBL19008143 0.83 ALDH1A1 (0.49) MAP4K4KCNH2SMN1; SMN2MAPK1
SCHEMBL25540177 0.83 USP2 (0.43) KCNH2SMN1; SMN2
SCHEMBL15587397 0.82 MAP4K4 (0.50) MAP4K4KCNH2CDK4CDK6SMN1; SMN2
SCHEMBL18137749 0.82 MAP4K4 (0.50) MAP4K4KCNH2CDK4CDK6SMN1; SMN2
SCHEMBL21092818 0.79 ALDH1A1 (0.54) SMN1; SMN2KDM2B
SCHEMBL17896304 0.78 KCNH2 (0.50) MAP4K4KCNH2CDK4CDK6SMN1; SMN2
SCHEMBL17896799 0.76 ALDH1A1 (0.60) SMN1; SMN2
SCHEMBL18626468 0.76 HRH3 (0.51) MAP4K4SMN1; SMN2
SCHEMBL13020890 0.75 MAPK1 (0.55) MAPK1

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
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
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