SCHEMBL17778222

SCHEMBL17778222

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccnnc2)C2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 11/20 0.41
▸ ROCK1 Q13464 1/20 0.38
▸ CDC42BPB Q9Y5S2 1/20 0.38
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL16754574 1.00 WNT3A (0.41) WNT3AROCK1CDC42BPBPSEN1PSEN2
SCHEMBL16754671 0.92 HRH3 (0.38) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL17768108 0.91 WNT3A (0.43) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL16754297 0.91 WNT3A (0.43) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL17618706 0.89 HTR2C (0.41) WNT3A
SCHEMBL19689778 0.89 HTR2C (0.41) WNT3A
SCHEMBL16754500 0.89 IRAK4 (0.37) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL17618695 0.87 BTK (0.39) WNT3ALRRK2JAK1TYK2
SCHEMBL17770584 0.87 ABL1 (0.36) WNT3AROCK1CDC42BPBABL1USP30
SCHEMBL17770596 0.87 PRMT5 (0.38) WNT3AABL1USP30GRM5HRH3

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-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
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