SCHEMBL22900459

SCHEMBL22900459

Cn1nc(C(F)(F)F)c2c1C(c1ccc(Cl)cc1F)N(c1ccc3[nH]cnc3c1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 13/20 0.40
▸ BRD4 O60885 5/20 0.36
▸ BRD2 P25440 5/20 0.36
▸ BRD3 Q15059 5/20 0.36
▸ CREBBP Q92793 5/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ NTRK3 Q16288 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL22900328 0.89 BRD2 (0.44) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900316 0.84 QPCT (0.53) QPCT
SCHEMBL22900325 0.81 QPCT (0.40) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900416 0.78 CREBBP (0.34) BRD4BRD2BRD3CREBBPDYRK3
SCHEMBL22900460 0.74 QPCT (0.40) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900454 0.74 QPCT (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900430 0.74 QPCT (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900399 0.73 BRD4 (0.41) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900168 0.73 QPCT (0.53) QPCTBRD4BRD2BRD3CREBBP
SCHEMBL22900166 0.72 QPCT (0.51) QPCTBRD4

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-2021009068-A1 N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME SCENIC IMMUNOLOGY B.V. (NL) 2021-01-21 — — WO disclosed
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