SCHEMBL22211510

SCHEMBL22211510

Nc1ccc(Cl)cc1-c1ccc(C(F)(F)P)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
MAP4K4 O95819 11/20 0.40
KCNH2 Q12809 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
PIK3CA P42336 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP1A2 P05177 1/20 0.38
TNIK Q9UKE5 1/20 0.38
PIK3CD O00329 2/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL17393564 0.88 KCNH2 (0.48) IDO1MAP4K4KCNH2MINK1PIK3CA
SCHEMBL22211534 0.74 IDO1 (0.42) IDO1MAP4K4DYRK3CCNA2CDK2
SCHEMBL7085072 0.73 KCNH2 (0.50) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL14907071 0.72 TSHR (0.56) IDO1DYRK3CCNA2CDK2CDK5
SCHEMBL15674548 0.72 IDO1 (0.46) IDO1MAP4K4KCNH2MINK1PIK3CA
SCHEMBL17393018 0.72 KCNH2 (0.49) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL16068081 0.71 IDO1 (0.44) IDO1MAP4K4KCNH2MINK1DYRK3
SCHEMBL1577931 0.70 TSHR (0.54) IDO1MAP4K4KCNH2MINK1CYP1A2
SCHEMBL2547240 0.68 TSHR (0.46) IDO1KDM4EALDH1A1HSD17B10
SCHEMBL23354192 0.68 P2RX7 (0.47) MAP4K4KCNH2MINK1PIK3CAPI4KB

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-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed