SCHEMBL20074772

SCHEMBL20074772

O=C(O)c1n[nH]c(-c2ccc(F)cc2)c1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAO2 Q9NYQ3 1/20 0.42
CA12 O43570 1/20 0.41
ALPL P05186 1/20 0.41
RPA1 P27694 1/20 0.41
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MAPT P10636 1/20 0.36
MAPK14 Q16539 3/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPK6 Q16659 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL20075637 0.82 GABRA2 (0.43) MAPTMAPK14MAPK1
SCHEMBL167755 0.76 IRAK4 (0.39) HAO2MAPTMAPK14
SCHEMBL4964605 0.75 HAO2 (0.53) HAO2CA12ALPLRPA1BCL2L1
SCHEMBL5255490 0.70 MAPK14 (0.61) HAO2MAPK14
SCHEMBL7646423 0.70 HAO2 (0.49) HAO2CA12ALPLRPA1MAPK14
SCHEMBL168203 0.70 TUBB4A (0.43) HAO2MAPTMAPK14
SCHEMBL20075544 0.70 SLC34A1 (0.45)
Water SCHEMBL5256024 0.69 MAPK14 (0.59) HAO2MAPK14
SCHEMBL10642212 0.69 LMNA (0.44) MAPTMAPK1MEN1KMT2A
SCHEMBL1929469 0.68 CA12 (0.49) HAO2CA12ALPLRPA1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed