SCHEMBL19670345

SCHEMBL19670345

CCN1CCCN(C(=O)Nc2ccccn2)c2nc(N3CCCC3F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.42
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MEN1 O00255 1/20 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
SCHEMBL19706163 0.89 FGFR4 (0.40) FGFR4JAK2NTRK1CDK1CCNB2
SCHEMBL19670596 0.89 FGFR4 (0.40) FGFR4JAK2NTRK1CDK1CCNB2
SCHEMBL19670627 0.89 FGFR4 (0.40) FGFR4JAK2NTRK1CDK1CCNB2
SCHEMBL19706102 0.84 FGFR4 (0.40) FGFR4TRPV1FAAH
SCHEMBL19670545 0.83 FGFR4 (0.40) FGFR4NPC1TRPV1MEN1KMT2A
SCHEMBL19706295 0.83 FGFR4 (0.40) FGFR4NPC1TRPV1MEN1KMT2A
SCHEMBL16775803 0.81 FGFR4 (0.48) FGFR4NPC1TRPV1MEN1KMT2A
SCHEMBL20733295 0.76 DGAT2 (0.38) FGFR4JAK2NTRK1CDK1CCNB2
SCHEMBL19670591 0.75 FGFR4 (0.42) FGFR4FAAHADORA2ACHRNA7CHRNA10
SCHEMBL19706272 0.75 TRPV3 (0.40) FGFR4

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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