SCHEMBL17778385

SCHEMBL17778385

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)C2CCN3C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 4/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ PRKD1 Q15139 8/20 0.37
▸ KARS1 Q15046 3/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PORCN Q9H237 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.35

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
SCHEMBL16238798 1.00 WNT3A (0.40) WNT3AGRM5PRKD1KARS1ABL1
SCHEMBL16754278 1.00 WNT3A (0.40) WNT3AGRM5PRKD1KARS1ABL1
SCHEMBL16754411 0.95 GRM5 (0.42) WNT3AGRM5PRKD1KARS1ABL1
SCHEMBL16754503 0.93 FAAH (0.36) PRKD1KARS1
SCHEMBL16754300 0.92 PRKD1 (0.39) PRKD1KARS1PRKD2
SCHEMBL17618709 0.92 ABL1 (0.37) WNT3AGRM5PRKD1ABL1
SCHEMBL16776516 0.91 KARS1 (0.37) PRKD1KARS1PRKD2
SCHEMBL17618518 0.91 PIK3CA (0.39) —
SCHEMBL16754442 0.90 FAAH (0.34) PRKD1KARS1
SCHEMBL16754666 0.90 KARS1 (0.37) PRKD1KARS1PRKD2

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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