SCHEMBL9344676

SCHEMBL9344676

COc1nc(C)nc(F)c1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.34
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIM1 P11309 1/20 0.31
CDK9 P50750 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL3674088 0.84 PKM (0.37) DYRK1APKMRXFP1PIM1CDK9
SCHEMBL11555941 0.77 PKM (0.34) DYRK1APKMRXFP1PIM1CDK9
SCHEMBL16016862 0.74 LMNA (0.41) DYRK1APKMRXFP1PIM1CDK9
SCHEMBL12649521 0.74 DYRK1A (0.39) DYRK1APKMRXFP1
SCHEMBL7229115 0.71 DYRK1A (0.33) DYRK1APKMRXFP1
SCHEMBL15443926 0.68 DYRK1A (0.36) DYRK1APKMRXFP1
SCHEMBL9124920 0.67 SMN1; SMN2 (0.36) RXFP1
SCHEMBL27083057 0.67 HSD17B10 (0.33)
SCHEMBL11625999 0.67 HSD17B10 (0.31)
SCHEMBL3667991 0.67 CCNA2 (0.34) DYRK1APKMRXFP1PIM1CDK9

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-0378089-B1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF AG (DE) 1994-06-29 EP disclosed
EP-0378089-A1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed