SCHEMBL30760486

SCHEMBL30760486

COc1nc(-c2cnn(C)c2)cn2ncc(C(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
BTK Q06187 6/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RET P07949 7/20 0.39
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
CYP2C9 P11712 1/20 0.38
PLCG2 P16885 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
STING1 Q86WV6 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL24439168 0.81 JAK2 (0.47) BTKRETJAK1JAK3JAK2
SCHEMBL24438659 0.80 PIK3CD (0.40) BTKRETJAK1JAK3JAK2
SCHEMBL31201718 0.80 MAPT (0.38) BTKRETJAK1JAK3JAK2
SCHEMBL16427000 0.77 POLB (0.39)
SCHEMBL1901010 0.77 ERN1 (0.48) RET
SCHEMBL24438940 0.76 CHEK1 (0.42) CHEK1BTKIRAK4JAK1JAK3
Formic Acid SCHEMBL31201799 0.73 RET (0.44) BTKRETPIM1PIM2
SCHEMBL30760263 0.73 CHEK1 (0.45) CHEK1BTKRETJAK1JAK3
SCHEMBL24437611 0.70 BTK (0.56) BTKJAK1JAK3JAK2TYK2
SCHEMBL19253538 0.67 JAK2 (0.47) CHEK1RETJAK1JAK3JAK2

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-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed