SCHEMBL30752617

SCHEMBL30752617

CSc1nc(Cl)nc2c(F)c(Br)c(C(F)(F)F)cc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34

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
SCHEMBL25406037 0.83 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30752579 0.82 AR (0.30) —
SCHEMBL24616033 0.81 ENPP3 (0.31) —
SCHEMBL31355670 0.80 TRPV1 (0.31) —
SCHEMBL31355659 0.76 GAA (0.30) —
SCHEMBL30752602 0.74 PDE2A (0.34) —
SCHEMBL27140653 0.74 — —
SCHEMBL30750845 0.73 ENPP3 (0.30) —
SCHEMBL30752636 0.70 SMN1; SMN2 (0.43) —
SCHEMBL31355710 0.70 — —

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
EP-4565579-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS Theras, Inc. (US) 2025-06-11 — — EP disclosed
Send feedback