SCHEMBL24438930

SCHEMBL24438930

Cc1cnn2cc(-c3cnn(C)c3)nc(O[C@@H]3CCCNCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
SYK P43405 3/20 0.40
AURKB Q96GD4 3/20 0.40
FLT3 P36888 1/20 0.40
PIM1 P11309 3/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
RET P07949 3/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
WNT1 P04628 2/20 0.37
CHEK1 O14757 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
SCHEMBL24437657 0.89 BTK (0.43) BTKSYKAURKBPIM1PIM3
SCHEMBL24438239 0.86 BTK (0.41) BTKSYKAURKBPIM1PIM3
SCHEMBL24437858 0.86 RET (0.51) RET
SCHEMBL24438356 0.82 BTK (0.63) BTKJAK2JAK1TYK2PIM1
SCHEMBL29674222 0.82 BTK (0.63) BTKJAK2JAK1TYK2PIM1
SCHEMBL24438184 0.82 BTK (0.63) BTKJAK2JAK1TYK2PIM1
SCHEMBL24438199 0.82 BTK (0.43) BTKJAK2JAK1TYK2SYK
SCHEMBL24437823 0.79 BTK (0.45) BTKSYKAURKBPIM1PIM3
Hydrochloric Acid SCHEMBL29674208 0.79 BTK (0.45) BTKSYKAURKBPIM1PIM3
SCHEMBL24437678 0.78 JAK1 (0.43) BTKJAK2JAK1TYK2SYK

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