SCHEMBL31367060

SCHEMBL31367060

COc1c(C(C)n2nc(Br)c3c(N)ncnc32)cc(Cl)c(C)c1C1CNC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.72
AXL P30530 4/20 0.53
MERTK Q12866 4/20 0.53

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
SCHEMBL14736506 1.00 PIK3CD (0.72) PIK3CDAXLMERTK
SCHEMBL14753932 0.92 PIK3CD (0.84) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL14736155 0.91 PIK3CD (0.83) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL14736258 0.91 PIK3CD (0.83) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL29715608 0.91 PIK3CD (0.83) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL29510916 0.91 PIK3CD (0.83) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL29510765 0.91 PIK3CD (0.83) PIK3CDAXLMERTK
SCHEMBL18258766 0.88 PIK3CD (0.70) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL29836092 0.87 PIK3CD (0.69) PIK3CDAXLMERTK
Hydrochloric Acid SCHEMBL14736177 0.87 PIK3CD (0.69) PIK3CDAXLMERTK

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
EP-3888657-B1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2025-03-19 EP disclosed