SCHEMBL21815529

SCHEMBL21815529

COC(C(=O)N1CCNCC1)c1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
AURKA O14965 3/20 0.34
ABL1 P00519 3/20 0.34
NTRK1 P04629 3/20 0.34
RET P07949 3/20 0.34
FGFR1 P11362 3/20 0.34
AURKB Q96GD4 3/20 0.34
BCR P11274 2/20 0.34
PLK4 O00444 2/20 0.34
JAK2 O60674 2/20 0.34
MAP4K4 O95819 2/20 0.34
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
FES P07332 2/20 0.34
LYN P07948 2/20 0.34
SRC P12931 2/20 0.34
PHKG2 P15735 2/20 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
SCHEMBL22188711 0.83 RAB9A (0.41) RAB9AHPGDMKNK1MKNK2AURKA
SCHEMBL3624311 0.79 CHRM1 (0.52) RAB9AAURKAABL1NTRK1RET
Hydrochloric Acid SCHEMBL25272684 0.78 CHRM1 (0.51) RAB9AAURKAABL1NTRK1RET
Hydrochloric Acid SCHEMBL25272683 0.78 CHRM1 (0.51) RAB9AAURKAABL1NTRK1RET
SCHEMBL20533596 0.71 CA2 (0.38) OPRD1CYP3A4
SCHEMBL8606865 0.71 HPGD (0.44) RAB9AHPGDOPRD1
SCHEMBL21815527 0.69 OPRD1 (0.39) MKNK1MKNK2CLK4OPRD1CHRNB2
SCHEMBL20448931 0.68 ALDH1A1 (0.43) RAB9AMKNK1MKNK2SIGMAR1CHRNB2
SCHEMBL7978722 0.68 CA2 (0.42) HPGDSIGMAR1CHRNB2CHRNA3CHRNA4
SCHEMBL3800402 0.66 TSHR (0.43) HPGDMKNK1MKNK2SIGMAR1CHRM1

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-3856348-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS Incyte Corporation (US) 2021-08-04 EP disclosed
WO-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 WO disclosed