SCHEMBL24697803

SCHEMBL24697803

C[C@H]1CCN1c1nc2c(c(-c3cccc(CN4CCCCC4)c3)n1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.41
SYK P43405 2/20 0.41
KDM5B Q9UGL1 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR7 P34969 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37

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
SCHEMBL30016293 1.00 ACP1 (0.41) ACP1SYKKDM5BHRH3PARP1
SCHEMBL24699445 0.99 ACP1 (0.42) ACP1SYKKDM5BHRH3PARP1
SCHEMBL30016248 0.99 ACP1 (0.42) ACP1SYKKDM5BHRH3PARP1
SCHEMBL24698791 0.97 ACP1 (0.40) ACP1SYKKDM5BPARP1SMN1; SMN2
SCHEMBL30016307 0.91 LRRK2 (0.42) PARP1ALDH1A1
SCHEMBL24698175 0.91 LRRK2 (0.42) PARP1ALDH1A1
SCHEMBL30016314 0.89 MTOR (0.42) ACP1SYKPARP1ALDH1A1HTR7
SCHEMBL24698193 0.89 MTOR (0.42) ACP1SYKPARP1ALDH1A1HTR7
SCHEMBL24699012 0.88 MTOR (0.41) SYKHRH3PARP1ALDH1A1EHMT2
SCHEMBL30015464 0.88 MTOR (0.41) SYKHRH3PARP1ALDH1A1EHMT2

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed