SCHEMBL4566613

SCHEMBL4566613

CCN(CC)CCn1c(C)c(C(N)=O)c(C)c1C=C1C(=O)Nc2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.55
PDGFRB P09619 8/20 0.55
PRKAA1 Q13131 8/20 0.55
PRKAA2 P54646 7/20 0.55
FLT3 P36888 6/20 0.55
KIT P10721 4/20 0.55
CSF1R P07333 3/20 0.55
FGFR1 P11362 3/20 0.55
TLK2 Q86UE8 3/20 0.55
PLK4 O00444 2/20 0.55
DCLK1 O15075 2/20 0.55
PDPK1 O15530 2/20 0.55
DAPK3 O43293 2/20 0.55
ROCK2 O75116 2/20 0.55
RPS6KA5 O75582 2/20 0.55
RPS6KA4 O75676 2/20 0.55
MAP4K4 O95819 2/20 0.55
CHEK2 O96017 2/20 0.55
NTRK1 P04629 2/20 0.55
INSR P06213 2/20 0.55

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
SCHEMBL28641704 1.00 KDR (0.55) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL28900853 0.92 KDR (0.56) KDRPDGFRBPRKAA1PRKAA2FLT3
Malic Acid SCHEMBL29904180 0.91 KDR (0.61) KDRPDGFRBPRKAA1PRKAA2FLT3
Malic Acid SCHEMBL28533602 0.91 KDR (0.61) KDRPDGFRBPRKAA1PRKAA2FLT3
Malic Acid SCHEMBL28533606 0.91 KDR (0.61) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL16569734 0.84 FLT3 (0.52) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL19862519 0.82 KDR (0.67) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL19645259 0.82 KDR (0.71) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL28673602 0.82 ALK (0.45) KDRPDGFRBPRKAA1PRKAA2FLT3
SCHEMBL28666353 0.82 ALK (0.45) KDRPDGFRBPRKAA1PRKAA2FLT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168218-B1 A CRYSTAL COMPRISING AN L-MALIC ACID SALT OF N-[2-(DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE FOR USE AS A MEDICAMENT PHARMACIA & UPJOHN CO LLC (US) 2018-11-14 EP claimed
CN-110016052-B Phosphoramide derivative of N-deethylsunitinib and preparation method thereof 四川海思科制药有限公司 2021-09-28 CN disclosed
CN-101495513-A Angiopoietin-2 specific binding agents AMGEN INC (US) 2009-07-29 CN disclosed
WO-2009021150-A2 PLATELET DERIVED GROWTH FACTOR RECEPTOR SUPPORTS CYTOMEGALOVIRUS INFECTIVITY CALIFORNIA PACIFIC MEDICAL CENTER (US) 2009-02-12 WO disclosed