SCHEMBL31293685

SCHEMBL31293685

CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccsc13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.42
CXCR3 P49682 1/20 0.40
NPC1 O15118 1/20 0.39
EPHX2 P34913 2/20 0.38
LMNA P02545 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
UBE2M P61081 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL31293751 0.90 POLB (0.34) POLBRAB9ANPC1
SCHEMBL31293607 0.89 USP2 (0.34) POLBRAB9ADCUN1D1UBE2MUSP2
SCHEMBL31293811 0.87 POLB (0.33) POLBRAB9A
SCHEMBL31293545 0.87 SYK (0.40)
SCHEMBL31293611 0.86 MEN1 (0.41) POLBNPC1EPHX2LMNASMN1; SMN2
SCHEMBL31293875 0.86 EPHX2 (0.46) TP53EPHX2DCUN1D1UBE2M
SCHEMBL31293889 0.85 POLB (0.48) POLBRAB9ATP53CXCR3EPHX2
SCHEMBL31293655 0.84 POLB (0.47) POLBRAB9ATP53CXCR3EPHX2
SCHEMBL31293407 0.84 SYK (0.31)
SCHEMBL31294007 0.84 SPR (0.32)

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