SCHEMBL18296315

SCHEMBL18296315

NC(=O)c1ncc(N2CCCCC2)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 11/20 0.43
▸ SLC9A5 Q14940 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
SCHEMBL18296292 0.82 BTK (0.55) IKBKBPTPN11BTKMAP4K4
SCHEMBL25608245 0.79 BTK (0.46) BTK
SCHEMBL18884592 0.74 BTK (0.64) BTK
SCHEMBL21947699 0.74 JAK3 (0.61) BTK
SCHEMBL25603500 0.74 JAK3 (0.69) BTK
Hydrochloric Acid SCHEMBL28856268 0.74 PLAU (0.43) PLAUSLC9A5MEN1NPC1ALDH1A1
SCHEMBL21947755 0.74 BTK (0.55) BTK
SCHEMBL18884637 0.74 BTK (0.64) BTK
SCHEMBL18296094 0.73 JAK3 (0.67) BTK
SCHEMBL24927489 0.73 KDM4E (0.46) MEN1ALDH1A1LMNATP53TSHR

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
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 — — WO disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO disclosed
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