SCHEMBL8378995

SCHEMBL8378995

COc1cc(N)nn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.38
ABL1 P00519 15/20 0.38
HCK P08631 14/20 0.38
EGFR P00533 14/20 0.38
PIK3CB P42338 13/20 0.38
MTOR P42345 13/20 0.38
PIK3CG P48736 13/20 0.38
EPHB4 P54760 13/20 0.38
PRKDC P78527 13/20 0.38
PI4KB Q9UBF8 13/20 0.38
KDR P35968 12/20 0.38
PIK3CD O00329 12/20 0.38
PIK3CA P42336 12/20 0.38
MPO P05164 2/20 0.37
LCK P06239 1/20 0.35
EPHA3 P29320 1/20 0.35
CSK P41240 1/20 0.35

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
SCHEMBL25793185 0.78 POLB (0.43) SRCABL1HCKEGFRPIK3CB
SCHEMBL21641320 0.77 SRC (0.39) SRCABL1HCKEGFRMPO
SCHEMBL19086974 0.72
SCHEMBL2817008 0.72 PIK3CG (0.38) SRCABL1HCKEGFRPIK3CB
SCHEMBL21641026 0.72 HTR2C (0.46) SRCABL1
SCHEMBL25719251 0.72 MPO (0.35) SRCABL1HCKEGFRPIK3CB
SCHEMBL25516557 0.72 TGFBR1 (0.43) MPO
Hydrochloric Acid SCHEMBL31714233 0.71 NOS3 (0.32)
SCHEMBL26151381 0.71 ABL1 (0.33) SRCABL1HCKEGFRPIK3CB
SCHEMBL8375126 0.71 SRC (0.48) SRCABL1HCKEGFRPIK3CB

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-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP claimed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO claimed