SCHEMBL31400968

SCHEMBL31400968

C[C@@H]1CN(c2cc(F)ccn2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ LRRK2 Q5S007 10/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CHI3L1 P36222 1/20 0.45
▸ CHIT1 Q13231 1/20 0.45
▸ CHIA Q9BZP6 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HRH3 Q9Y5N1 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
SCHEMBL22210084 0.82 CHI3L1 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGLRRK2
SCHEMBL30729441 0.81 LRRK2 (0.46) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL2726000 0.81 TDP1 (0.58) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL2725997 0.81 TDP1 (0.58) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL4550904 0.81 TDP1 (0.58) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL29889142 0.81 LRRK2 (0.46) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL22290811 0.81 LRRK2 (0.46) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL22290812 0.81 LRRK2 (0.46) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL28402936 0.81 LRRK2 (0.47) KDM4EHTTPIK3CDPIK3CAPIK3CB
SCHEMBL23019809 0.75 KMT2A (0.51) KDM4EHTTKMT2ACHIATDP1

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-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 — — EP claimed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 — — WO claimed
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