SCHEMBL7220503

SCHEMBL7220503

CC/C(=N/O)c1nc(C)nc2c1c(C)cn2-c1ccc(OC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.40
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
JAK2 O60674 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7220509 1.00 CRHR1 (0.40) CRHR1CDK1CCNB1SMN1; SMN2MEN1
SCHEMBL7220506 1.00 CRHR1 (0.40) CRHR1CDK1CCNB1SMN1; SMN2MEN1
SCHEMBL7226449 0.92 CRHR1 (0.43) CRHR1
SCHEMBL7226448 0.92 CRHR1 (0.43) CRHR1
SCHEMBL7226443 0.92 CRHR1 (0.43) CRHR1
SCHEMBL7220430 0.82 CRHR1 (0.40) CRHR1
SCHEMBL7220428 0.82 CRHR1 (0.40) CRHR1
SCHEMBL7222459 0.82 CRHR1 (0.40) CRHR1
SCHEMBL7222448 0.79 GABRG2 (0.34) CRHR1CDK1
SCHEMBL7222445 0.79 GABRG2 (0.34) CRHR1CDK1

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
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP claimed
US-6525067-B1 Corticotropin releasing factor antagonists; such as 1-(2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl)-propan-1-one-oxime PFIZER INC 2003-02-25 US disclosed
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP disclosed