SCHEMBL30147778

SCHEMBL30147778

N#Cc1cccnc1-n1nccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ DRD2 P14416 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.41
▸ GRM5 P41594 3/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL21598433 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL31247608 0.77 KDM4E (0.46) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL29504673 0.77 ADORA2A (0.44) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL565864 0.74 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL18839501 0.74 MALT1 (0.38) ALDH1A1MALT1
SCHEMBL29818410 0.74 MALT1 (0.38) ALDH1A1MALT1
SCHEMBL3287137 0.74 KDM4E (0.61) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL3735595 0.74 CYP2A6 (0.44) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL6822065 0.73 KDM4E (0.59) KDM4EALDH1A1MAPTRECQLDRD2
SCHEMBL30748716 0.73 KDM4E (0.59) KDM4EALDH1A1MAPTRECQLDRD2

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-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 — — EP disclosed
CN-112585128-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 — — CN disclosed
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