SCHEMBL28030489

SCHEMBL28030489

CCCCc1c[nH]nc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37

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
SCHEMBL6089012 0.96 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL14722433 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29542562 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29542978 0.78 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16772910 0.78 CYP2D6 (0.37) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6089429 0.77 CCNB2 (0.34) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL3641432 0.75 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28448592 0.74 CYP1A2 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL22162576 0.74 ALDH1A1 (0.43) CYP1A2CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL5584092 0.74 GPR84 (0.49) CYP1A2CYP2C9CYP2C19CDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104877673-A Pyridine pyrazole dinuclear copper [1] complex luminescent material and preparation method UNIV JIANGXI SCI & TECHNOLOGY 2015-09-02 CN claimed
CN-111909183-B Preparation method of tert-butyl pyridine pyrazole copper [ I ] dinuclear complex stimulus response luminescent and photochromic material 江西理工大学 2022-07-29 CN disclosed
CN-111909183-A Preparation method of tert-butyl pyridine pyrazole copper [ I ] dinuclear complex stimulus response luminescent and photochromic material 江西理工大学 2020-11-10 CN disclosed
CN-104877673-A Pyridine pyrazole dinuclear copper [1] complex luminescent material and preparation method UNIV JIANGXI SCI & TECHNOLOGY 2015-09-02 CN disclosed
CN-104877673-A Pyridine pyrazole dinuclear copper [1] complex luminescent material and preparation method UNIV JIANGXI SCI & TECHNOLOGY 2015-09-02 CN disclosed