SCHEMBL18780296

SCHEMBL18780296

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(N2CCN(C(=O)c3ccccc3)CC2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PARP14 Q460N5 4/20 0.48
▸ PARP10 Q53GL7 4/20 0.48
▸ SLC6A7 Q99884 1/20 0.47
▸ BTK Q06187 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ GBA1 P04062 2/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18780334 0.86 BTK (0.52) MEN1KMT2ABTKHTTMAPT
SCHEMBL18780297 0.85 BTK (0.50) BTK
SCHEMBL18780378 0.85 BTK (0.52) MEN1KMT2ABTKHTTMAPT
SCHEMBL18780337 0.83 BTK (0.48) BTKCKS1BSKP1SKP2PRSS1
SCHEMBL18780299 0.82 BTK (0.52) MEN1KMT2ABTKCKS1BSKP1
SCHEMBL18780338 0.80 RAB9A (0.50) MEN1KMT2APARP14PARP10BTK
SCHEMBL18780268 0.80 BTK (0.51) BTK
SCHEMBL6116269 0.80 ABL1 (0.51) MEN1KMT2ASLC6A7BTK
SCHEMBL18780324 0.77 BTK (0.64) BTKCKS1BSKP1SKP2
SCHEMBL18780263 0.76 BTK (0.53) BTKPRSS1PRSS2PRSS3

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
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