SCHEMBL19670263

SCHEMBL19670263

CCN1CC[C@@H](C)N(C(=O)Nc2ccncn2)c2nc(-c3cccc(N4CCCC4)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.37
▸ FAAH O00519 3/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ F10 P00742 2/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL19365745 0.90 DHFR (0.38) DHFRFAAHPRKCICARM1PRMT6
SCHEMBL19669985 0.90 KARS1 (0.43) DHFRFAAHPRKCICARM1PRMT6
SCHEMBL19670357 0.89 MPL (0.41) FAAH
SCHEMBL19670389 0.88 ROCK2 (0.35) CARM1PRMT6PRMT8JAK2TRPV3
SCHEMBL19670241 0.87 GRM5 (0.38) —
SCHEMBL19670393 0.86 ABL1 (0.42) JAK2TRPV3ABL1BCRCAMK2D
SCHEMBL19670432 0.86 TRPV3 (0.34) CARM1PRMT6PRMT8JAK2TRPV3
SCHEMBL19670385 0.85 MPL (0.44) FAAHIRAK4
SCHEMBL17618493 0.82 DHFR (0.39) DHFRFAAHPRKCICARM1PRMT6
SCHEMBL19670242 0.82 SLC27A1 (0.35) CARM1PRMT6PRMT8TRPV3NPC1

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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