SCHEMBL31293689

SCHEMBL31293689

CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccn(C)c13)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 5/20 0.33
CYP2C9 P11712 4/20 0.33
CYP3A4 P08684 4/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
USP30 Q70CQ3 2/20 0.32
CYP2C19 P33261 1/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
IKBKE Q14164 1/20 0.32
IKBKB O14920 1/20 0.32
CXCR3 P49682 1/20 0.31
SPR P35270 1/20 0.31
MAPT P10636 1/20 0.31
XPO1 O14980 1/20 0.31

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
SCHEMBL31293836 0.95 UBE2M (0.36) POLBRAB9AUSP2CYP2C9CYP3A4
SCHEMBL31293417 0.95 POLB (0.34) POLBRAB9AUSP2CYP2C9CYP3A4
SCHEMBL31293686 0.94 SLC13A3 (0.35) POLBRAB9AUSP30XPO1JUN
SCHEMBL31293714 0.93 EPHX2 (0.40) POLBRAB9AUSP2CYP2C9CYP3A4
SCHEMBL31293736 0.93 USP2 (0.37) POLBRAB9AUSP2CYP2C9CYP3A4
SCHEMBL31293734 0.93 POLB (0.35) POLBRAB9AUSP30CXCR3
SCHEMBL31293889 0.92 POLB (0.48) POLBRAB9AUSP2CYP2C9CYP3A4
SCHEMBL31293484 0.90 BRAF (0.32) POLBRAB9A
SCHEMBL31293754 0.89 POLB (0.32) POLBRAB9A
SCHEMBL31293835 0.89 RORC (0.33) USP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP claimed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO claimed