SCHEMBL28002189

SCHEMBL28002189

c1ccc2c(c1)CNC(c1ccncc1)=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
TRPA1 O75762 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL7517539 0.89 NISCH (0.41) MAPTLMNAGAAPOLBNISCH
SCHEMBL30205262 0.83 NPC1 (0.45) MAPTLMNAPOLBNISCHNPC1
SCHEMBL28002482 0.83 LMNA (0.41) MAPTLMNAGAAPOLBNPC1
SCHEMBL31012251 0.81 NISCH (0.46) MAPTLMNANISCHALOX15HSD17B10
SCHEMBL27921193 0.79 NISCH (0.36) MAPTLMNAGAANISCHNPC1
SCHEMBL27379957 0.76 CYP19A1 (0.42) MAPTLMNAGAANISCHRAB9A
SCHEMBL27903425 0.75 NISCH (0.46) MAPTLMNAGAAPOLBNISCH
SCHEMBL28002164 0.74 NPC1 (0.47) MAPTLMNAPOLBNISCHNPC1
SCHEMBL29546893 0.70 EGFR (0.41) MAPTLMNAGAANISCHNPC1
SCHEMBL17871058 0.69 NOS3 (0.39) MAPTLMNAGAAPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496914-A Synthesis method of 2-aryl-substituted quinazoline compounds UNIV NORTHWESTERN 2015-04-08 CN disclosed