SCHEMBL19364831

SCHEMBL19364831

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(C)n2)CCCN3C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.41
▸ ABL1 P00519 1/20 0.37
▸ FGFR4 P22455 5/20 0.36
▸ WNT3A P56704 7/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ PORCN Q9H237 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ CSF1R P07333 3/20 0.34
▸ KIT P10721 3/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PDGFRA P16234 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
SCHEMBL19365504 0.91 CYP11B2 (0.37) CYP11B2ABL1FGFR4WNT3APORCN
SCHEMBL19365327 0.88 FAAH (0.36) CYP11B2ABL1FGFR4WNT3APORCN
SCHEMBL19365719 0.85 HTR2C (0.52) HTR2AHTR2C
SCHEMBL19365738 0.84 FGFR4 (0.37) CYP11B2ABL1FGFR4WNT3AHTR2A
SCHEMBL19365813 0.84 RPS6KA3 (0.36) CYP11B2ABL1WNT3AHTR2AHTR2C
SCHEMBL19365531 0.83 FGFR4 (0.49) ABL1FGFR4WNT3A
SCHEMBL19364861 0.82 NOTUM (0.40) WNT3A
SCHEMBL20632688 0.81 ABL1 (0.34) CYP11B2ABL1FGFR4WNT3A
SCHEMBL19365819 0.81 PIK3CA (0.42) WNT3A
SCHEMBL19365733 0.81 TP53 (0.38) ABL1WNT3A

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
Send feedback