SCHEMBL28048041

SCHEMBL28048041

COCCOc1ccc(Nc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.47
TTBK2 Q6IQ55 8/20 0.47
EGFR P00533 4/20 0.43
ILK Q13418 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
FBP1 P09467 1/20 0.42
PDPK1 O15530 1/20 0.42
KDM1A O60341 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDR P35968 1/20 0.41
SYK P43405 1/20 0.40
BTK Q06187 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39

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
SCHEMBL4913780 0.85 TTBK1 (0.62) TTBK1TTBK2EGFRNPC1RAB9A
SCHEMBL10000200 0.82 TTBK1 (0.56) TTBK1TTBK2KDR
SCHEMBL4926094 0.78 EGFR (0.54) TTBK1TTBK2EGFRNPC1RAB9A
SCHEMBL30677302 0.78 EGFR (0.54) TTBK1TTBK2EGFRNPC1RAB9A
SCHEMBL28048062 0.77 TTBK1 (0.64) TTBK1TTBK2EGFRNPC1RAB9A
SCHEMBL17150909 0.77 KMT2A (0.42) NPC1RAB9AMEN1TP53MAPT
SCHEMBL4923711 0.76 TTBK1 (0.64) TTBK1TTBK2
SCHEMBL4923486 0.75 TRPV1 (0.45) TTBK1TTBK2NPC1RAB9AHTT
SCHEMBL4921635 0.75 MKNK1 (0.54) TTBK1TTBK2EGFRNPC1RAB9A
SCHEMBL4923801 0.75 TTBK1 (0.59) TTBK1TTBK2EGFRNPC1RAB9A

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-105153154-A BTK (bruton tyrosine kinase) inhibitor and purpose of BTK inhibitor GUANGDONG HEC PHARMACEUTICAL 2015-12-16 CN disclosed