SCHEMBL19743468

SCHEMBL19743468

Clc1cc(-c2ccccc2)c2[nH]nc(I)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ ADORA3 P0DMS8 4/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ ADORA2A P29274 3/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ FGFR1 P11362 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL25241698 0.72 GRM4 (0.34) MAP4K4CSNK1A1CDK5CLK4CYP1A2
SCHEMBL25239396 0.72 — —
SCHEMBL28494856 0.72 ADORA2A (0.52) LMNAADORA3ADORA1ADORA2AKDM4E
SCHEMBL439446 0.70 KDM4E (0.43) LMNAADORA1ADORA2AAURKBKDM4E
SCHEMBL31046570 0.70 KDM4E (0.43) LMNAADORA1ADORA2AAURKBKDM4E
SCHEMBL31347131 0.69 — —
SCHEMBL19743476 0.69 METAP2 (0.45) LMNAADORA3ADORA1ADORA2AFGFR1
SCHEMBL13360778 0.66 ADORA1 (0.50) LMNAADORA1ADORA2AKDM4EHPGD
SCHEMBL30866395 0.65 KDM4E (0.50) LMNAADORA1ADORA2AAURKBKDM4E
SCHEMBL440401 0.65 KDM4E (0.41) LMNAADORA1ADORA2AAURKBKDM4E

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-2017220431-A1 FUSED PYRAZOLE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2017-12-28 — — WO disclosed
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