SCHEMBL27928008

SCHEMBL27928008

NCc1cccc(-c2ncncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.48
▸ CDK8 P49336 1/20 0.44
▸ LOXL2 Q9Y4K0 4/20 0.42
▸ PNMT P11086 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ CFD P00746 2/20 0.41
▸ ATR Q13535 1/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ KARS1 Q15046 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR3 P22607 1/20 0.38

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
SCHEMBL112429 0.85 ADRB2 (0.68) ADRB2CDK8LOXL2PNMTENPP2
SCHEMBL29676764 0.85 ADRB2 (0.68) ADRB2CDK8LOXL2PNMTENPP2
SCHEMBL27278090 0.80 ADRB2 (0.67) ADRB2LOXL2TAAR1CYP2A6
SCHEMBL4761792 0.80 CLK4 (0.42) CYP2A6
SCHEMBL1579740 0.79 ADRB2 (0.46) ADRB2CDK8LOXL2PNMTENPP2
SCHEMBL13492797 0.79 ADRB2 (0.46) ADRB2CDK8LOXL2PNMTENPP2
SCHEMBL12547520 0.79 MET (0.46) ADRB2CDK8LOXL2PNMTENPP2
SCHEMBL3791745 0.77 LOXL2 (0.60) CDK8LOXL2PNMTENPP2CFD
SCHEMBL20797575 0.76 CYP2A6 (0.50) CDK8LOXL2PNMTENPP2CFD
SCHEMBL28225952 0.76 CDK8 (0.49) ADRB2CDK8LOXL2PNMTENPP2

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
CN-103881068-B Polymer and organic luminescent device 剑桥显示技术有限公司 2018-09-21 — — CN disclosed
CN-103848978-B polymer and organic electronic device 剑桥显示技术有限公司 2018-01-12 — — CN disclosed
CN-103159745-A Compound for organic electroluminescent device and organic electroluminescent device E RAY OPTOELECTRONICS TECH CO 2013-06-19 — — CN disclosed
Send feedback