SCHEMBL30453060

SCHEMBL30453060

Cc1c(-c2ccccn2)cnc(C#N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
LMNA P02545 3/20 0.38
METAP1 P53582 2/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
GRM5 P41594 4/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
METAP2 P50579 1/20 0.38
TDO2 P48775 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL24257776 1.00 KDM4E (0.41) KDM4EPOLBALDH1A1CCR1CCR5
SCHEMBL30453043 0.77 KDM4E (0.38) KDM4EPOLBALDH1A1LMNABLM
SCHEMBL3971576 0.77 CCR1 (0.45) KDM4EPOLBALDH1A1CCR1CCR5
SCHEMBL24257513 0.77 KDM4E (0.38) KDM4EPOLBALDH1A1LMNABLM
SCHEMBL30453176 0.77 KDM4E (0.45) KDM4EALDH1A1CYP1A2KMT2ATSHR
SCHEMBL24257695 0.77 KDM4E (0.45) KDM4EALDH1A1CYP1A2KMT2ATSHR
SCHEMBL24257723 0.76 SQOR (0.38) KDM4EPOLBALDH1A1LMNAKMT2A
SCHEMBL30453144 0.76 SQOR (0.38) KDM4EPOLBALDH1A1LMNAKMT2A
SCHEMBL24257531 0.76 GRM5 (0.52) KDM4EPOLBALDH1A1GRM5SMN1; SMN2
SCHEMBL24257623 0.74 DHFR (0.43) KDM4EPOLBALDH1A1CYP1A2TSHR

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-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed