SCHEMBL19670344

SCHEMBL19670344

CCN1CCCN(C(=O)Nc2cnccn2)c2nc(-c3ccnn3C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ PORCN Q9H237 2/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL20631618 0.89 ABL1 (0.36) FGFR4RAB9AKDM4EABL1CYP11B2
SCHEMBL19365591 0.84 ABL1 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL19670348 0.82 CHRNB2 (0.34) FGFR4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19670496 0.82 MTOR (0.38) FGFR4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19670124 0.82 WNT3A (0.40) CYP11B2PORCNCSF1R
SCHEMBL16776155 0.81 ABL1 (0.37) FGFR4RAB9AKDM4EABL1CYP11B2
SCHEMBL19699074 0.80 FAAH (0.37) FGFR4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19670433 0.79 ALOX15 (0.36) FGFR4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19361181 0.74 ABL1 (0.35) KDM4EABL1CYP2D6PORCNMAP4K1
SCHEMBL19670523 0.73 TRPV3 (0.38) RAB9ANPC1KMT2A

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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