SCHEMBL23889230

SCHEMBL23889230

Nc1nc(F)c2[nH]ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ REN P00797 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ DCPS Q96C86 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ DHFR P00374 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
SCHEMBL29421618 0.79 PDPK1 (0.44) DYRK1ARENDCPSDHFR
SCHEMBL17223741 0.79 PDPK1 (0.44) DYRK1ARENDCPSDHFR
SCHEMBL4872319 0.76 DYRK1A (0.33) DYRK1ARIPK1RENDCPSMAPK1
SCHEMBL4106056 0.76 DYRK1A (0.50) DYRK1ATNFRIPK1
SCHEMBL18194317 0.72 CHUK (0.40) RENDHFR
SCHEMBL21727172 0.72 DYRK1A (0.31) DYRK1AREN
SCHEMBL20274839 0.72 REN (0.41) DYRK1ARENDCPSMAPK1DHFR
SCHEMBL27964697 0.67 REN (0.41) RENDHFR
SCHEMBL31745118 0.64 PIK3CA (0.31) DYRK1ATNFRIPK1MAPK1PIK3CA
SCHEMBL4838531 0.64 DYRK1A (0.41) DYRK1ATNFRIPK1MAPK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 — — EP disclosed
Send feedback