SCHEMBL18780259

SCHEMBL18780259

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)ccnc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.45
LTA4H P09960 1/20 0.42
TNK2 Q07912 6/20 0.41
LCK P06239 3/20 0.41
SRC P12931 3/20 0.41
TEK Q02763 3/20 0.41
GSTP1 P09211 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDR P35968 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL18780263 0.78 BTK (0.53) BTKLCKSRCTEKGSTP1
SCHEMBL18800745 0.78 BTK (0.43) BTKLTA4HTNK2NPC1RAB9A
SCHEMBL18780322 0.77 BTK (0.53) BTKTNK2GSTP1NPC1RAB9A
SCHEMBL18780380 0.76 BTK (0.54) BTKGSTP1MEN1ALDH1A1KMT2A
SCHEMBL18800753 0.76 BTK (0.49) BTKTNK2
SCHEMBL18780266 0.76 BTK (0.53) BTKLTA4HTNK2MEN1KMT2A
SCHEMBL16168585 0.76 BTK (0.53) BTKTNK2LCKSRCTEK
SCHEMBL18800492 0.75 BTK (0.48) BTKTNK2
SCHEMBL18800635 0.75 BTK (0.48) BTKTNK2
SCHEMBL16168567 0.75 BTK (0.55) BTKLTA4HTNK2MEN1ALDH1A1

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
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed