SCHEMBL30016248

SCHEMBL30016248

C[C@H]1CCN1c1nc2c(c(-c3cccc(CN4CCCC4)c3)n1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
SYK P43405 2/20 0.40
PARP1 P09874 3/20 0.39
KDM5B Q9UGL1 1/20 0.39
HTR7 P34969 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PRMT6 Q96LA8 1/20 0.37
USP7 Q93009 1/20 0.37
S1PR1 P21453 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL24699445 1.00 ACP1 (0.42) ACP1SYKPARP1KDM5BHTR7
SCHEMBL24697803 0.99 ACP1 (0.41) ACP1SYKPARP1KDM5BHTR7
SCHEMBL30016293 0.99 ACP1 (0.41) ACP1SYKPARP1KDM5BHTR7
SCHEMBL24698791 0.98 ACP1 (0.40) ACP1SYKPARP1KDM5BHTR7
SCHEMBL30016307 0.92 LRRK2 (0.42) PARP1ALDH1A1
SCHEMBL24698175 0.92 LRRK2 (0.42) PARP1ALDH1A1
SCHEMBL30016314 0.90 MTOR (0.42) ACP1SYKPARP1HTR7EHMT2
SCHEMBL24698193 0.90 MTOR (0.42) ACP1SYKPARP1HTR7EHMT2
SCHEMBL24699012 0.88 MTOR (0.41) SYKPARP1EHMT2HRH3PRMT6
SCHEMBL30015464 0.88 MTOR (0.41) SYKPARP1EHMT2HRH3PRMT6

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
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed