SCHEMBL16168586

SCHEMBL16168586

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C(=O)NN)c2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.48
▸ PLAU P00749 1/20 0.43
▸ FYN P06241 1/20 0.42
▸ TNK2 Q07912 2/20 0.42
▸ MCL1 Q07820 6/20 0.42
▸ BCL2L1 Q07817 2/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ FABP1 P07148 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL18780329 0.90 PLAU (0.53) BTKPLAUMEN1KMT2AF2
SCHEMBL18780323 0.90 BTK (0.52) BTKTNK2MCL1F2F10
SCHEMBL18780265 0.88 BTK (0.52) BTKPLAUTNK2MCL1F2
SCHEMBL18780383 0.88 NPC1 (0.54) BTKF2F10
SCHEMBL18780327 0.84 BTK (0.54) BTKTNK2MCL1MEN1KMT2A
SCHEMBL18780267 0.83 BTK (0.53) BTKTNK2MCL1MEN1KMT2A
SCHEMBL18780264 0.82 BTK (0.55) BTKFYNTNK2MCL1KMT2A
SCHEMBL18780343 0.82 BTK (0.50) BTKTNK2MCL1ALDH1A1
SCHEMBL18780338 0.81 RAB9A (0.50) BTKMEN1KMT2AF10ALDH1A1
SCHEMBL18780380 0.81 BTK (0.54) BTKMCL1MEN1KMT2AALDH1A1

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
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
EP-2789614-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP disclosed
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