SCHEMBL14077948

SCHEMBL14077948

O=C(c1ccc(Nc2nc(N3CCCCC3)nn3ccnc23)cc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.56
SYK P43405 1/20 0.56
LCK P06239 1/20 0.49
JAK3 P52333 1/20 0.49
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TNKS O95271 1/20 0.47

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
SCHEMBL14077951 0.89 BTK (0.69) BTKSYKLCKTNKS
SCHEMBL14077952 0.87 BTK (0.58) BTKSYKLCKJAK3TNKS
SCHEMBL9068893 0.85 BTK (0.59) BTKSYKHPGDRXFP1TNKS
SCHEMBL9005193 0.84 BTK (0.71) BTKLCKJAK3
SCHEMBL9004538 0.82 BTK (0.84) BTKLCKJAK3
SCHEMBL9004583 0.82 BTK (0.84) BTKLCKJAK3
SCHEMBL9004682 0.82 BTK (0.58) BTKHPGDRXFP1TNKS
SCHEMBL14077950 0.81 SYK (0.56) BTKSYKLCKJAK3HPGD
SCHEMBL9004734 0.81 BTK (0.57) BTKSYKHPGDRXFP1TNKS
SCHEMBL9004540 0.80 BTK (0.59) BTKLCKJAK3

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-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 WO disclosed