SCHEMBL7368926

SCHEMBL7368926

COc1ccc(-c2nnc(=O)c3ccc[nH]c2-3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.47
CCND1 P24385 9/20 0.47
CDK2 P24941 8/20 0.47
CCNE2 O96020 7/20 0.47
CCNE1 P24864 7/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOB P27338 2/20 0.46
MITF O75030 1/20 0.46
PKM P14618 1/20 0.46
AGTR1 P30556 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ADORA1 P30542 1/20 0.40
PDGFRB P09619 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
SCHEMBL7370353 0.85 MAOB (0.53) MAPTSMN1; SMN2MAOBPKMALDH1A1
SCHEMBL7369411 0.84 RAB9A (0.42) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL7364007 0.82 IDO1 (0.48) NPC1MAPTRAB9ASMN1; SMN2PKM
SCHEMBL7367836 0.77 IKBKB (0.42) ALDH1A1
SCHEMBL7365557 0.76 MAPT (0.48) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7361974 0.75 NR4A2 (0.36) IDO1
SCHEMBL7365581 0.75 CDK8 (0.48) NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL7370627 0.73 MAOB (0.51) MAOBIDO1KDM4EALDH1A1ADORA1
SCHEMBL7366344 0.72 MAOB (0.50) NPC1MAPTRAB9ASMN1; SMN2MAOB
SCHEMBL7364174 0.71 KDR (0.46) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed