SCHEMBL30730859

SCHEMBL30730859

Cn1cc(-c2cnc(N)c(-c3ccc(N4CCCC4=O)cc3)c2)c2cnn(C)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRDT Q58F21 1/20 0.46
PIP4K2A P48426 1/20 0.45
SYK P43405 6/20 0.39
MAP4K4 O95819 1/20 0.38
FYN P06241 1/20 0.38
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
LRRK2 Q5S007 2/20 0.37
TGFBR1 P36897 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL22553767 1.00 BRD4 (0.46) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL22554263 0.89 PIP4K2A (0.41) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL30730829 0.89 PIP4K2A (0.41) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL22553979 0.86 BRD4 (0.48) BRD4BRDTPIP4K2ASYKCCNC
SCHEMBL22553845 0.85 AXL (0.42) PIP4K2A
SCHEMBL22554034 0.82 BRD4 (0.44) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL22553737 0.81 BRD4 (0.48) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL22554116 0.79 BRD4 (0.39) BRD4BRDTPIP4K2ASYKMAP4K4
SCHEMBL22553977 0.74 PIP4K2A (0.40) BRD4BRDTPIP4K2ASYKCCNC
SCHEMBL22553850 0.73 CHEK2 (0.54) MAP4K4FYNTGFBR1

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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed