SCHEMBL18800556

SCHEMBL18800556

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(C(=O)N3CCOCC3)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.43
▸ BTK Q06187 3/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ MET P08581 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ F10 P00742 2/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PARP14 Q460N5 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CSF1R P07333 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
SCHEMBL18800767 0.84 RAB9A (0.48) ATRBTKJAK2KDRF10
SCHEMBL18800757 0.84 TNK2 (0.49) BTKPARP10
SCHEMBL16168177 0.84 PARP10 (0.51) BTKPARP14PARP10ALDH1A1
SCHEMBL18800753 0.82 BTK (0.49) BTK
SCHEMBL18800492 0.81 BTK (0.48) BTK
SCHEMBL18800807 0.80 ATR (0.48) ATRHTTBTKJAK2F10
SCHEMBL18800616 0.80 BTK (0.47) BTK
SCHEMBL18800564 0.79 BTK (0.47) BTKALDH1A1
SCHEMBL6115840 0.79 BTK (0.65) BTKJAK2JAK3METKDR
SCHEMBL18800747 0.77 KMT2A (0.46) HTTBTKHPGDALDH1A1

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-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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