SCHEMBL19670389

SCHEMBL19670389

CCN1CC[C@@H](C)N(C(=O)Nc2ccnc(OC)n2)c2nc(-c3cccc(N4CCCC4)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ TP53BP1 Q12888 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TBK1 Q9UHD2 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
SCHEMBL19669985 0.88 KARS1 (0.43) CARM1PRMT6PRMT8JAK2CAMK2D
SCHEMBL19670263 0.88 DHFR (0.37) CARM1PRMT6PRMT8JAK2CAMK2D
SCHEMBL19670258 0.87 KCNH2 (0.37) MTORTSHRMEN1KMT2A
SCHEMBL19670257 0.86 HPGDS (0.38) MAPK14MAPT
SCHEMBL16775987 0.85 KARS1 (0.36) ROCK2ROCK1CARM1PRMT6PRMT8
SCHEMBL19670432 0.84 TRPV3 (0.34) CARM1PRMT6PRMT8JAK2MTOR
SCHEMBL17618487 0.84 CARM1 (0.38) ROCK2ROCK1CARM1PRMT6PRMT8
SCHEMBL19670393 0.82 ABL1 (0.42) JAK2CAMK2DTRPV3ABL1BCR
SCHEMBL19670242 0.80 SLC27A1 (0.35) CARM1PRMT6PRMT8POLQTRPV3
SCHEMBL19670575 0.79 EGFR (0.32) TRPV3EGFR

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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