SCHEMBL7314867

SCHEMBL7314867

NC(=O)c1cn2cc(Br)nc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
ADORA1 P30542 2/20 0.33
LMNA P02545 1/20 0.32
PIK3R1 P27986 1/20 0.31
SCD O00767 1/20 0.31
GRM2 Q14416 2/20 0.31
ADORA2A P29274 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL9936641 0.84 RXFP1 (0.55) RXFP1ADORA1
SCHEMBL31210544 0.83 RXFP1 (0.44) RXFP1PIK3CAMTORLMNAPIK3R1
SCHEMBL16505737 0.80 RXFP1 (0.41) RXFP1PIK3CAMTORLMNASCD
SCHEMBL7351426 0.80 RXFP1 (0.38) RXFP1PIK3CAMTORADORA1PIM1
SCHEMBL7354451 0.75 KDM4E (0.49) RXFP1
SCHEMBL5560237 0.74 PIK3CA (0.64) PIK3CAMTORLMNAPIK3R1
SCHEMBL18340813 0.71 GRM2 (0.39) RXFP1PIK3CAMTORPIK3R1SCD
SCHEMBL5552998 0.68 ADORA1 (0.34) RXFP1ADORA1ADORA2A
SCHEMBL19629696 0.68 ADORA1 (0.34) ADORA1ADORA2A
SCHEMBL23571734 0.68 RXFP1 (0.34) RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028605-A Antispasmodic, bronchodilators, uterine relaxants, cardiac analeptics, neurosedatives L'UNIVERSITE DE MONTPELLIER I (FR) 1991-07-02 US disclosed
EP-0348392-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Université Montpellier I (FR) 1990-01-03 EP disclosed
WO-1988004298-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-06-16 WO disclosed