SCHEMBL28106510

SCHEMBL28106510

Cc1ccnc(Cc2cc[nH]n2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL22149392 0.71 UHRF1 (0.39) LRRK2KMT2AKDM4E
SCHEMBL18013016 0.71 CCNA2 (0.36) NPSR1MAPTCYP2C9ALOX15KMT2A
SCHEMBL4588217 0.71 — —
SCHEMBL30168270 0.70 — —
SCHEMBL13034200 0.70 — —
SCHEMBL2616794 0.68 L3MBTL1 (0.47) NPSR1KMT2AALDH1A1MAPK1
SCHEMBL1422106 0.68 — —
SCHEMBL6026053 0.67 NPSR1 (0.38) NPSR1MAPTCYP2C9ALOX15KMT2A
SCHEMBL790901 0.67 KDM4E (0.44) NPSR1MAPTCYP2C9ALOX15KMT2A
SCHEMBL1509571 0.66 — —

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
CN-104428293-B Adjust the benzimidazole of TNF α UCB生物制药私人有限公司 2018-06-08 — — CN disclosed
CN-104470924-B Imidazopyrazines derivant as TNF active regulator UCB生物制药私人有限公司 2016-11-09 — — CN disclosed
Send feedback