SCHEMBL28823474

SCHEMBL28823474

CN(C)c1ccc(Nc2nccc(Nc3cccc(NC(=O)OC(C)(C)C)c3)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.52
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.48
EGFR P00533 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
AURKA O14965 6/20 0.46
AURKB Q96GD4 1/20 0.46
IGF1R P08069 2/20 0.46
LCK P06239 1/20 0.46
EIF2AK2 P19525 1/20 0.46
BMX P51813 1/20 0.46
PARP1 P09874 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL28189261 0.86 NPC1 (0.57) SYKBTKITKEGFRNPC1
SCHEMBL27971524 0.84 SYK (0.49) SYKBTKITKEGFR
SCHEMBL18780747 0.81 SYK (0.48) SYKITKEGFRNPC1RAB9A
SCHEMBL30350991 0.78 TRPV1 (0.55)
SCHEMBL28850302 0.78 SYK (0.50) SYKITKEGFRNPC1RAB9A
SCHEMBL17266536 0.77 JAK3 (0.58) SYKBTKAURKAKDR
SCHEMBL28039312 0.76 SYK (0.48) SYKITKNPC1RAB9AAURKA
SCHEMBL28039617 0.75 SYK (0.48) SYKITKNPC1RAB9AAURKA
SCHEMBL30737936 0.75 AURKA (0.56) NPC1RAB9AAURKAAURKB
SCHEMBL13921824 0.73 SYK (0.60) SYKITKEGFR

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-104968664-A BICYCLIC COMPOUND FUNCTIONING AS TYROSINE KINASE INHIBITOR KBP BIOSCIENCES CO LTD 2015-10-07 CN disclosed