SCHEMBL18705467

SCHEMBL18705467

O=C(Nc1ccccc1)c1ccc2cn[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ KMT2A Q03164 1/20 0.55
▸ NPC1 O15118 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 2/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ BRAF P15056 1/20 0.48
▸ EGFR P00533 2/20 0.48

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
SCHEMBL31721176 0.78 KDM4E (0.46) RAB9AKMT2ANPC1KDM4EALOX15
SCHEMBL2022195 0.78 KDM4E (0.46) RAB9AKMT2ANPC1KDM4EALOX15
SCHEMBL31721178 0.78 KDM4E (0.46) RAB9AKMT2ANPC1KDM4EALOX15
SCHEMBL15347911 0.76 POLB (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1131467 0.76 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL7022585 0.74 KDM4E (0.64) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL160553 0.73 GRK2 (0.47) KMT2AKDM4ECDK2L3MBTL1ALDH1A1
SCHEMBL29773134 0.73 GRK2 (0.47) KMT2AKDM4ECDK2L3MBTL1ALDH1A1
SCHEMBL13201008 0.73 RAB9A (0.70) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL30761113 0.72 POLB (0.77) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 — — WO claimed
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 — — WO disclosed
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