SCHEMBL30366806

SCHEMBL30366806

Cc1cccc(Oc2ccc(-c3cn(C)c4c(C#N)cnc(N)c34)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 10/20 0.43
KDR P35968 10/20 0.43
LCK P06239 10/20 0.40
TNK2 Q07912 1/20 0.37
RET P07949 3/20 0.36
SRC P12931 4/20 0.36
BTK Q06187 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EIF2AK3 Q9NZJ5 2/20 0.34
RIPK1 Q13546 1/20 0.34
NUDT14 O95848 1/20 0.34
NUDT5 Q9UKK9 1/20 0.34

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
SCHEMBL30366958 0.86 ALOX5AP (0.43) TEKKDRRETSRCBTK
SCHEMBL30366769 0.81 KDR (0.35) TEKKDRLCKTNK2RET
SCHEMBL25716096 0.79 TEK (0.53) TEKKDRLCKRETSRC
SCHEMBL30366523 0.75 KDR (0.33) TEKKDRLCKTNK2RET
SCHEMBL30366702 0.73 BTK (0.39) TEKKDRLCKBTKFFAR4
SCHEMBL30367019 0.73 ALOX5AP (0.48) EIF2AK3
SCHEMBL28981125 0.70 TGFBR1 (0.41) TEKKDRLCKSRC
SCHEMBL22676145 0.69 LRRK2 (0.43) TEKKDRLCKSRCBTK
SCHEMBL25714787 0.68 KDM4E (0.37) BTK
SCHEMBL16483429 0.67 FFAR4 (0.47) FFAR4

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-115894481-A Nitrogen-containing heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed