SCHEMBL6014728

SCHEMBL6014728

N[N+]12C=CN=CC1=C(C1(CN3C(=O)c4ccccc4C3=O)CCCCC1)N=C2c1cccc(OCc2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
IGF1R P08069 4/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
CNR2 P34972 2/20 0.33
GPR18 Q14330 2/20 0.33
PRKDC P78527 2/20 0.33
PLAT P00750 1/20 0.33
CNR1 P21554 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL2462756 0.80 GRM5 (0.41) GRM5IGF1RBRD4CREBBPPRKDC
SCHEMBL2458295 0.77 IGF1R (0.38) GRM5IGF1RBRD4CREBBPPLAT
SCHEMBL2460398 0.74 MAOB (0.41) IGF1RPRKDCBACE1
SCHEMBL2457017 0.74 MAOB (0.39) IGF1RBRD4PRKDCALDH1A1HPGD
SCHEMBL3537072 0.74 MAOB (0.40) IGF1RPRKDCALDH1A1KMT2ANPSR1
SCHEMBL2460772 0.73 GRM5 (0.34) GRM5IGF1RPRKDCALDH1A1HPGD
SCHEMBL2460471 0.73 IGF1R (0.42) IGF1RNAAA
SCHEMBL2457734 0.73 NR1H2 (0.41) IGF1RPRKDCALDH1A1HPGDXBP1
SCHEMBL3537676 0.72 MRGPRX4 (0.42)
SCHEMBL2458332 0.72 NR1H2 (0.39) IGF1RPRKDC

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-1675860-A2 IMIDAZO[1,5-A]PYRAZINE TYROSINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-07-05 EP disclosed
WO-2005037836-A2 IMIDAZO ‘1, 5 - A ! PYRAZINE TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-04-28 WO disclosed