SCHEMBL7850698

SCHEMBL7850698

CNC1CCCCC1.c1ccc(-c2cc3c(NCC4CCCCC4)ncnc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 9/20 0.69
EGFR P00533 8/20 0.47
PRMT5 O14744 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC3 O15379 1/20 0.43
ERBB2 P04626 1/20 0.43
KDR P35968 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL3542880 0.93 CSF1R (0.79) CSF1REGFRPRMT5JAK2JAK1
SCHEMBL7843466 0.83 JAK2 (0.46) CSF1REGFRJAK2JAK1
SCHEMBL7850265 0.77 JAK1 (0.62) JAK2JAK1
SCHEMBL7853326 0.77 JAK1 (0.62) JAK2JAK1
SCHEMBL7843489 0.76 JAK1 (0.63) JAK2JAK1
SCHEMBL3532802 0.75 CSF1R (0.50) CSF1REGFRJAK2JAK1
SCHEMBL7088975 0.74 JAK1 (0.60) JAK2JAK1
SCHEMBL22524220 0.71 EGFR (0.57) CSF1REGFRKCNH2HDAC3ERBB2
SCHEMBL25261399 0.70 CSF1R (0.62) CSF1REGFRPRMT5JAK2JAK1
SCHEMBL30440679 0.70 CSF1R (0.62) CSF1REGFRPRMT5JAK2JAK1

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-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed