SCHEMBL31455231

SCHEMBL31455231

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3cc(OC(F)(F)F)ccc3N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.46
BRAF P15056 7/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABL1 P00519 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL31455202 0.86 KDR (0.44) KDRBRAFKMT2ANPC1TP53
SCHEMBL31455832 0.80 F10 (0.47) KMT2ANPC1TP53RAB9AMEN1
SCHEMBL31455523 0.73 ABL1 (0.50) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31455390 0.73 HDAC2 (0.56) NPC1RAB9AABL1
SCHEMBL31455455 0.72 KMT2A (0.45) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31455161 0.72 KMT2A (0.46) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31455162 0.70 KMT2A (0.42) BRAFKMT2ANPC1TP53PKM
SCHEMBL374880 0.67 ABL1 (0.54) KMT2ANPC1TP53PKMRAB9A
SCHEMBL374881 0.67 ABL1 (0.54) KMT2ANPC1TP53PKMRAB9A
SCHEMBL3492544 0.67 HDAC1 (0.52) NPC1RAB9AHSD17B10ABL1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed