SCHEMBL27657441

SCHEMBL27657441

NCc1cccc(N(C(N)=O)c2ccc(-c3ccc(CN4CCOCC4)c4[nH]nc(N)c34)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.57
KIT P10721 5/20 0.57
FLT3 P36888 5/20 0.57
NCF1 P14598 1/20 0.39
JAK2 O60674 2/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
CHEK1 O14757 1/20 0.36
IKBKE Q14164 1/20 0.36
DHODH Q02127 1/20 0.36
PIK3CD O00329 2/20 0.35
CHUK O15111 1/20 0.35
INSR P06213 1/20 0.35
MAPK8 P45983 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL28760142 0.90 KDR (0.58) KDRKITFLT3JAK2ABL1
SCHEMBL27657311 0.88 KDR (0.56) KDRKITFLT3ABL1BCR
SCHEMBL27657354 0.86 KDR (0.51) KDRKITFLT3NCF1IKBKE
SCHEMBL27657288 0.83 KDR (0.52) KDRKITFLT3JAK2ABL1
SCHEMBL27657308 0.82 KDR (0.43) KDRKITFLT3JAK2ABL1
SCHEMBL27636389 0.81 KDR (0.49) KDRKITFLT3JAK2ABL1
SCHEMBL27657333 0.81 KDR (0.54) KDRKITFLT3JAK2ABL1
SCHEMBL27636462 0.79 KDR (0.60) KDRKITFLT3JAK2ABL1
SCHEMBL28760587 0.79 KDR (0.44) KDRKITFLT3NCF1JAK2
SCHEMBL13504144 0.79 KDR (0.61) KDRKITFLT3CHUKINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826324-B indazole, Benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-12-07 CN claimed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 CN claimed
CN-101827584-A Solid dispersion product of N-aryl ureido drugs ABBOTT GMBH & CO KG 2010-09-08 CN disclosed