SCHEMBL21285514

SCHEMBL21285514

CCC(C)(O)Cc1ccc(N2CCN(c3ccc4ccn([C@H]5C[C@H](N(C)Cc6ccccc6)C5)c4n3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ RORC P51449 8/20 0.33
▸ NAPEPLD Q6IQ20 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL21281595 0.85 MAPT (0.38) RORCNAPEPLDMCHR1CYP2D6CHRM1
SCHEMBL21281594 0.84 AURKA (0.33) JAK2JAK1RORCNAPEPLDMCHR1
SCHEMBL22801947 0.82 GPR119 (0.39) RORCCNR1CNR2
SCHEMBL21274382 0.82 GPR119 (0.39) RORCCNR1CNR2
SCHEMBL21273979 0.82 GPR119 (0.39) RORCCNR1CNR2
SCHEMBL22801915 0.67 GPR119 (0.41) —
SCHEMBL22801952 0.67 GPR119 (0.41) —
SCHEMBL21274013 0.67 GPR119 (0.41) —
SCHEMBL21281590 0.67 PARP1 (0.36) AURKACDK4
SCHEMBL21285460 0.62 AURKA (0.47) AURKACDK4

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
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO disclosed
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