SCHEMBL24438415

SCHEMBL24438415

Clc1cc(I)cc2nccn12

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
MAP2K1 Q02750 1/20 0.31
ACVR1 Q04771 1/20 0.31
MAP4K2 Q12851 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
AURKB Q96GD4 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL22490641 0.79 EGLN2 (0.35) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL28873689 0.76 NPC1 (0.35) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL30318567 0.76 IDO1 (0.31) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL21438499 0.72 RECQL (0.39) EGLN2
SCHEMBL1907671 0.72 PDE10A (0.34)
SCHEMBL21439276 0.71 TPMT (0.39) EGLN2
SCHEMBL29115013 0.68 EGLN2 (0.33) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL260187 0.67 CDK8 (0.53) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL3231277 0.67 CHEK1 (0.38) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL2571208 0.67 PDE10A (0.32) CHEK1MAP4K4CSF1RPRKACAKDR

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
WO-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 WO disclosed