SCHEMBL25904008

SCHEMBL25904008

CCn1cnc2cc(-c3ncc(Cl)cn3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EIF4EBP1 Q13541 2/20 0.41
▸ GRK2 P25098 2/20 0.41
▸ DDR1 Q08345 4/20 0.37
▸ BRAF P15056 2/20 0.37
▸ RAB9A P51151 3/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL8351342 0.81 HDAC6 (0.44) EIF4EBP1GRK2DDR1RAB9AHDAC6
SCHEMBL25907670 0.81 ACHE (0.41) EIF4EBP1GRK2DDR1
SCHEMBL25908025 0.80 EIF4EBP1 (0.39) EIF4EBP1GRK2TNF
SCHEMBL25901097 0.76 NPC1 (0.41) DDR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL25899259 0.74 NPC1 (0.42) EIF4EBP1GRK2RAB9AHDAC6NPC1
SCHEMBL25912391 0.74 CYP11B2 (0.39) EIF4EBP1GRK2DDR1RAB9ANPC1
SCHEMBL25899268 0.74 NPC1 (0.41) GRK2RAB9AHDAC6NPC1ALDH1A1
SCHEMBL31362805 0.73 TIPARP (0.64) —
SCHEMBL31123009 0.72 HDAC6 (0.40) GRK2DDR1RAB9AHDAC6NPC1
SCHEMBL24754381 0.72 DDR1 (0.54) GRK2DDR1RAB9ASTAT1KMT2A

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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