SCHEMBL2490566

SCHEMBL2490566

Cc1cc(NC(=O)c2cnccn2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.70
▸ NPC1 O15118 12/20 0.70
▸ SMN1; SMN2 Q16637 8/20 0.67
▸ TP53 P04637 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ SORT1 Q99523 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL12764166 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL259290 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL18027795 0.80 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13381573 0.80 RAB9A (0.80) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL20068993 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL11903751 0.78 KMT2A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6928827 0.78 GRM5 (0.72) —
SCHEMBL1793750 0.77 SORT1 (0.53) KMT2AMEN1SORT1
SCHEMBL1452104 0.76 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1798177 0.76 GRM5 (0.53) SORT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 — — EP claimed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 — — WO claimed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 — — EP disclosed
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