SCHEMBL31334040

SCHEMBL31334040

COC(=O)c1cccc(-c2nc(Cl)ncc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ERN1 O75460 1/20 0.46
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
NEK1 Q96PY6 4/20 0.44
AXL P30530 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SDHB P21912 1/20 0.43
IL2 P60568 1/20 0.43
PLAU P00749 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL5379140 0.84 MAP2K4 (0.45) ERN1GABRA5L3MBTL1
SCHEMBL22097954 0.81 NPC1 (0.41) NPC1RAB9AL3MBTL1ABL1CNR1
SCHEMBL14892283 0.80 CDK8 (0.61) CDK8RAB9AERN1GABRG2GABRB3
SCHEMBL17634951 0.78 L3MBTL1 (0.56) L3MBTL1BTK
SCHEMBL12519774 0.78 MAPK1 (0.54) RAB9AABL1BCRSRC
SCHEMBL15577299 0.78 CLK4 (0.46) NPC1RAB9A
SCHEMBL24054111 0.78 KDR (0.38) CDK8
SCHEMBL38656270 0.77 CDK8 (0.58) CDK8NPC1RAB9AERN1GABRG2
SCHEMBL27928801 0.76 ALDH1A1 (0.51) CDK8NPC1RAB9AERN1GABRG2
SCHEMBL15577176 0.75 BTK (0.46) BTK

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed