SCHEMBL30299387

SCHEMBL30299387

NC1=NC(N)(c2ccc(N3CC[C@@H](CN4CCCC4)C3)c(F)c2)NN1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
PIM1 P11309 1/20 0.31
CASP1 P29466 1/20 0.30
CASP4 P49662 1/20 0.30
CASP5 P51878 1/20 0.30

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
SCHEMBL30299398 0.94 OPRM1 (0.34) OPRM1OPRK1OPRL1CASP1CASP4
SCHEMBL30299303 0.86 CYP17A1 (0.36) OPRM1OPRK1OPRL1CASP1CASP4
SCHEMBL30299381 0.82 IP6K1 (0.32)
SCHEMBL29929683 0.81 AXL (0.40)
SCHEMBL30299388 0.80 ROCK2 (0.34)
SCHEMBL30299325 0.80 ROCK2 (0.32)
SCHEMBL30299377 0.80 PDE3B (0.34) PIM1
SCHEMBL29928123 0.80 AXL (0.39)
SCHEMBL30299298 0.80 ALDH1A1 (0.32)
SCHEMBL30299337 0.79 FPR1 (0.37) PIM1

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
CN-116075303-A Method of selecting patients treated with a combination of an AXL inhibitor and an immune checkpoint modulator 卑尔根生物股份公司 2023-05-05 CN disclosed
CN-115916344-A AXL inhibitors for antiviral therapy 卑尔根生物股份公司 2023-04-04 CN disclosed