SCHEMBL9890575

SCHEMBL9890575

c1cnc2c(c1)c1ccncc1n2-c1ccc2oc3ccc4oc5ccc(-n6c7cnccc7c7ccncc76)cc5c4c3c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.33
CDK6 Q00534 4/20 0.33
PDPK1 O15530 1/20 0.31
TGFBR1 P36897 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
IDO1 P14902 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL9890570 0.99 CDK4 (0.33) CDK4CDK6PDPK1TGFBR1IKBKE
SCHEMBL9890116 0.92 MAPT (0.33) CDK4CDK6PDPK1TGFBR1IKBKE
SCHEMBL9890445 0.91 CDK4 (0.31) CDK4CDK6NPC1MAPTKDM4E
SCHEMBL9890378 0.91 CDK4 (0.33) CDK4CDK6PDPK1TGFBR1IKBKE
SCHEMBL13529148 0.90 CDK4 (0.31) CDK4CDK6NPC1MAPTKDM4E
SCHEMBL9890571 0.89 DDB1 (0.37) NPC1MAPTDDB1CRBNKDM4E
SCHEMBL9890192 0.88 CDK4 (0.33) CDK4CDK6PDPK1TGFBR1IKBKE
SCHEMBL13529162 0.87 CDK4 (0.34) CDK4CDK6IDO1
SCHEMBL9890574 0.86 KDM4E (0.38) CDK4CDK6KDM4EIDO1
SCHEMBL9890583 0.86 NPC1 (0.36) NPC1MAPTKDM4EALDH1A1PDE4A

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
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed