SCHEMBL19683744

SCHEMBL19683744

CN1CCN(Cc2ccc(C(=N)c3c(N)ncnc3Nc3ccc(NC=O)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42
CDK6 Q00534 5/20 0.42
CDK9 P50750 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK11A Q9UQ88 1/20 0.42
CDK2 P24941 8/20 0.40
FLT3 P36888 8/20 0.40
CCNA1 P78396 8/20 0.40
CCNK O75909 2/20 0.40
CDK13 Q14004 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 3/20 0.39
CDK1 P06493 1/20 0.38
FLT1 P17948 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL19683825 0.89 NPC1 (0.44) CDK2FLT3CCNA1LMNA
SCHEMBL20878891 0.89 LMNA (0.43) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL20878945 0.86 EIF2AK2 (0.42) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL19683703 0.81 CAMK2D (0.40) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL20878977 0.80 HRH3 (0.42) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL19683694 0.79 JAK2 (0.46) FLT3HDAC6KDRAURKAAXL
SCHEMBL23047341 0.78 PRMT1 (0.42) CDK2AURKARPS6KB1AURKB
SCHEMBL20878933 0.78 TYK2 (0.41) FLT3HDAC6
SCHEMBL23047342 0.78 PRMT1 (0.41) KDRAURKB
SCHEMBL23047328 0.78 EGFR (0.44) FLT1

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-2017206962-A1 NOVEL INHIBITOR FOR FLT3 KINASE AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-12-07 WO disclosed